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

C14H20N4O — CID 159854721

IUPAC(3R)-1-[(4-amino-5H-cyclopenta[d]pyrimidin-7-yl)methyl]-4-ethylpyrrolidin-3-ol
SMILESCCC1CN(CC2=CCc3c(N)ncnc32)C[C@@H]1O
InChIInChI=1S/C14H20N4O/c1-2-9-5-18(7-12(9)19)6-10-3-4-11-13(10)16-8-17-14(11)15/h3,8-9,12,19H,2,4-7H2,1H3,(H2,15,16,17)/t9?,12-/m0/s1
InChIKeyRLGLNNMPCRICJW-ACGXKRRESA-N
MW260.34 g/mol
LogP0.70
Rot. Bonds3

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

(3R)-1-[(4-amino-5H-cyclopenta[d]pyrimidin-7-yl)methyl]-4-ethylpyrrolidin-3-ol (PubChem CID 159854721) has the molecular formula C14H20N4O and a molecular weight of 260.34 g/mol. Its IUPAC name is (3R)-1-[(4-amino-5H-cyclopenta[d]pyrimidin-7-yl)methyl]-4-ethylpyrrolidin-3-ol.

Molecular Properties

Compound Name(3R)-1-[(4-amino-5H-cyclopenta[d]pyrimidin-7-yl)methyl]-4-ethylpyrrolidin-3-ol
PubChem CID159854721
Molecular FormulaC14H20N4O
Molecular Weight260.34 g/mol
Exact Mass260.16
IUPAC Name(3R)-1-[(4-amino-5H-cyclopenta[d]pyrimidin-7-yl)methyl]-4-ethylpyrrolidin-3-ol
SMILESCCC1CN(CC2=CCc3c(N)ncnc32)C[C@@H]1O
InChIInChI=1S/C14H20N4O/c1-2-9-5-18(7-12(9)19)6-10-3-4-11-13(10)16-8-17-14(11)15/h3,8-9,12,19H,2,4-7H2,1H3,(H2,15,16,17)/t9?,12-/m0/s1
InChIKeyRLGLNNMPCRICJW-ACGXKRRESA-N
XLogP0.70
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

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Related Compounds

(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[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-ethyltriazol-4-yl)pyrrolidin-3-ol
CID 159562064
(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,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
(3R,4R)-1-[(4-amino-5H-pyrrolo[3,2-d]pyrimidin-6-yl)methyl]-4-ethylpyrrolidin-3-ol
CID 122691781
7-[[(3R,4R)-3-hydroxy-4-(hydroxymethyl)pyrrolidin-1-yl]methyl]-3,5-dihydrocyclopenta[d]pyrimidin-4-one
CID 161182398
4-ethyl-1-(1,2,4-oxadiazol-5-ylmethyl)pyrrolidin-3-ol
CID 130927622
1-benzyl-4-ethylpyrrolidin-3-ol
CID 18939335
(3S,4R)-1-benzyl-4-ethylpyrrolidin-3-ol
CID 57045077
7-[[(3S,4S)-3-[(4-chlorophenyl)sulfanylmethyl]-4-hydroxypyrrolidin-1-yl]methyl]-3,5-dihydrocyclopenta[d]pyrimidin-4-one
CID 136600959
1-[(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]-4-pentylpyrrolidin-3-ol
CID 123651063

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[(4-amino-5H-cyclopenta[d]pyrimidin-7-yl)methyl]-4-ethylpyrrolidin-3-ol?
The IUPAC name of (3R)-1-[(4-amino-5H-cyclopenta[d]pyrimidin-7-yl)methyl]-4-ethylpyrrolidin-3-ol (CID 159854721) is (3R)-1-[(4-amino-5H-cyclopenta[d]pyrimidin-7-yl)methyl]-4-ethylpyrrolidin-3-ol.
What is the SMILES notation for (3R)-1-[(4-amino-5H-cyclopenta[d]pyrimidin-7-yl)methyl]-4-ethylpyrrolidin-3-ol?
The canonical SMILES for (3R)-1-[(4-amino-5H-cyclopenta[d]pyrimidin-7-yl)methyl]-4-ethylpyrrolidin-3-ol is CCC1CN(CC2=CCc3c(N)ncnc32)C[C@@H]1O.
What is the InChIKey of (3R)-1-[(4-amino-5H-cyclopenta[d]pyrimidin-7-yl)methyl]-4-ethylpyrrolidin-3-ol?
The InChIKey is RLGLNNMPCRICJW-ACGXKRRESA-N. The full InChI is InChI=1S/C14H20N4O/c1-2-9-5-18(7-12(9)19)6-10-3-4-11-13(10)16-8-17-14(11)15/h3,8-9,12,19H,2,4-7H2,1H3,(H2,15,16,17)/t9?,12-/m0/s1.
What are the key properties of (3R)-1-[(4-amino-5H-cyclopenta[d]pyrimidin-7-yl)methyl]-4-ethylpyrrolidin-3-ol?
(3R)-1-[(4-amino-5H-cyclopenta[d]pyrimidin-7-yl)methyl]-4-ethylpyrrolidin-3-ol has a molecular weight of 260.34 g/mol, XLogP of 0.70, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[(4-amino-5H-cyclopenta[d]pyrimidin-7-yl)methyl]-4-ethylpyrrolidin-3-ol is sourced from PubChem (CID 159854721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).