(3R,4R)-1-[(4-amino-5H-cyclopenta[d]pyrimidin-7-yl)methyl]-4-(1-ethyltriazol-4-yl)pyrrolidin-3-ol

C16H21N7O — CID 159562064

IUPAC(3R,4R)-1-[(4-amino-5H-cyclopenta[d]pyrimidin-7-yl)methyl]-4-(1-ethyltriazol-4-yl)pyrrolidin-3-ol
SMILESCCn1cc([C@H]2CN(CC3=CCc4c(N)ncnc43)C[C@@H]2O)nn1
InChIInChI=1S/C16H21N7O/c1-2-23-7-13(20-21-23)12-6-22(8-14(12)24)5-10-3-4-11-15(10)18-9-19-16(11)17/h3,7,9,12,14,24H,2,4-6,8H2,1H3,(H2,17,18,19)/t12-,14+/m1/s1
InChIKeyMAVLEXZSYGAHDA-OCCSQVGLSA-N
MW327.39 g/mol
LogP0.07
Rot. Bonds4

About (3R,4R)-1-[(4-amino-5H-cyclopenta[d]pyrimidin-7-yl)methyl]-4-(1-ethyltriazol-4-yl)pyrrolidin-3-ol

(3R,4R)-1-[(4-amino-5H-cyclopenta[d]pyrimidin-7-yl)methyl]-4-(1-ethyltriazol-4-yl)pyrrolidin-3-ol (PubChem CID 159562064) has the molecular formula C16H21N7O and a molecular weight of 327.39 g/mol. Its IUPAC name is (3R,4R)-1-[(4-amino-5H-cyclopenta[d]pyrimidin-7-yl)methyl]-4-(1-ethyltriazol-4-yl)pyrrolidin-3-ol.

Molecular Properties

Compound Name(3R,4R)-1-[(4-amino-5H-cyclopenta[d]pyrimidin-7-yl)methyl]-4-(1-ethyltriazol-4-yl)pyrrolidin-3-ol
PubChem CID159562064
Molecular FormulaC16H21N7O
Molecular Weight327.39 g/mol
Exact Mass327.18
IUPAC Name(3R,4R)-1-[(4-amino-5H-cyclopenta[d]pyrimidin-7-yl)methyl]-4-(1-ethyltriazol-4-yl)pyrrolidin-3-ol
SMILESCCn1cc([C@H]2CN(CC3=CCc4c(N)ncnc43)C[C@@H]2O)nn1
InChIInChI=1S/C16H21N7O/c1-2-23-7-13(20-21-23)12-6-22(8-14(12)24)5-10-3-4-11-15(10)18-9-19-16(11)17/h3,7,9,12,14,24H,2,4-6,8H2,1H3,(H2,17,18,19)/t12-,14+/m1/s1
InChIKeyMAVLEXZSYGAHDA-OCCSQVGLSA-N
XLogP0.07
TPSA105.98 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.39
LogP ≤ 50.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze (3R,4R)-1-[(4-amino-5H-cyclopenta[d]pyrimidin-7-yl)methyl]-4-(1-ethyltriazol-4-yl)pyrrolidin-3-ol with MolForge

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Related Compounds

(3R)-1-[(4-amino-5H-cyclopenta[d]pyrimidin-7-yl)methyl]-4-ethylpyrrolidin-3-ol
CID 159854721
(3R,4S)-1-[(4-amino-5H-cyclopenta[d]pyrimidin-7-yl)methyl]-4-(3-ethylsulfanylpropyl)pyrrolidin-3-ol
CID 159562065
(3R,4R)-1-[(4-amino-5H-cyclopenta[d]pyrimidin-7-yl)methyl]-4-(1-benzyltriazol-4-yl)pyrrolidin-3-ol;cis-(1S,2R)-2-ethynylcyclopentan-1-ol;cis-(1S,2R)-2-prop-1-ynylcyclopentan-1-ol;bis(trans-(1S,2R)-2-(3-benzyl-1,2-dihydrotriazol-5-yl)cyclopentan-1-ol)
CID 158131637
(3R,4S)-4-ethyl-1-[(4-methyl-5H-cyclopenta[d]pyrimidin-7-yl)methyl]pyrrolidin-3-ol
CID 159692716
(3R,4S)-1-[(4-amino-5H-cyclopenta[b]pyridin-7-yl)methyl]-4-(methylsulfanylmethyl)pyrrolidin-3-ol;(4S)-1-[(4-amino-5H-cyclopenta[d]pyrimidin-7-yl)methyl]-4-(butylsulfanylmethyl)pyrrolidin-3-ol
CID 158498747
(3R,4R)-1-[(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]-4-[1-[(3,5-dimethylphenyl)methyl]triazol-4-yl]pyrrolidin-3-ol
CID 71811264
1-[(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]-4-(1-benzyltriazol-4-yl)pyrrolidin-3-ol
CID 75244671
(3R,4S)-1-[(4-amino-5H-cyclopenta[d]pyrimidin-7-yl)methyl]-4-[2-[2-(2-hydroxyethoxy)ethylsulfanyl]ethyl]pyrrolidin-3-ol;5H-cyclopenta[d]pyrimidin-4-amine;(3R,4S)-4-[2-[2-(2-hydroxyethoxy)ethylsulfanyl]ethyl]pyrrolidin-3-ol
CID 160638272
7-[[(3R,4R)-3-hydroxy-4-(hydroxymethyl)pyrrolidin-1-yl]methyl]-3,5-dihydrocyclopenta[d]pyrimidin-4-one
CID 161182398
(3R,4R)-1-[(4-amino-5H-pyrrolo[3,2-d]pyrimidin-6-yl)methyl]-4-ethylpyrrolidin-3-ol
CID 122691781
(3R,4R)-4-(1-benzyltriazol-4-yl)pyrrolidin-3-ol
CID 46939331
(3R,4R)-4-(azepan-1-yl)-1-[(1-ethylpyrazol-4-yl)methyl]piperidin-3-ol
CID 46988813

Frequently Asked Questions

What is the IUPAC name of (3R,4R)-1-[(4-amino-5H-cyclopenta[d]pyrimidin-7-yl)methyl]-4-(1-ethyltriazol-4-yl)pyrrolidin-3-ol?
The IUPAC name of (3R,4R)-1-[(4-amino-5H-cyclopenta[d]pyrimidin-7-yl)methyl]-4-(1-ethyltriazol-4-yl)pyrrolidin-3-ol (CID 159562064) is (3R,4R)-1-[(4-amino-5H-cyclopenta[d]pyrimidin-7-yl)methyl]-4-(1-ethyltriazol-4-yl)pyrrolidin-3-ol.
What is the SMILES notation for (3R,4R)-1-[(4-amino-5H-cyclopenta[d]pyrimidin-7-yl)methyl]-4-(1-ethyltriazol-4-yl)pyrrolidin-3-ol?
The canonical SMILES for (3R,4R)-1-[(4-amino-5H-cyclopenta[d]pyrimidin-7-yl)methyl]-4-(1-ethyltriazol-4-yl)pyrrolidin-3-ol is CCn1cc([C@H]2CN(CC3=CCc4c(N)ncnc43)C[C@@H]2O)nn1.
What is the InChIKey of (3R,4R)-1-[(4-amino-5H-cyclopenta[d]pyrimidin-7-yl)methyl]-4-(1-ethyltriazol-4-yl)pyrrolidin-3-ol?
The InChIKey is MAVLEXZSYGAHDA-OCCSQVGLSA-N. The full InChI is InChI=1S/C16H21N7O/c1-2-23-7-13(20-21-23)12-6-22(8-14(12)24)5-10-3-4-11-15(10)18-9-19-16(11)17/h3,7,9,12,14,24H,2,4-6,8H2,1H3,(H2,17,18,19)/t12-,14+/m1/s1.
What are the key properties of (3R,4R)-1-[(4-amino-5H-cyclopenta[d]pyrimidin-7-yl)methyl]-4-(1-ethyltriazol-4-yl)pyrrolidin-3-ol?
(3R,4R)-1-[(4-amino-5H-cyclopenta[d]pyrimidin-7-yl)methyl]-4-(1-ethyltriazol-4-yl)pyrrolidin-3-ol has a molecular weight of 327.39 g/mol, XLogP of 0.07, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-1-[(4-amino-5H-cyclopenta[d]pyrimidin-7-yl)methyl]-4-(1-ethyltriazol-4-yl)pyrrolidin-3-ol is sourced from PubChem (CID 159562064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).