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

C14H20N4O — CID 58230420

IUPAC(3S,4S)-1-[(4-amino-5H-cyclopenta[d]pyrimidin-7-yl)methyl]-4-ethylpyrrolidin-3-ol
SMILESCC[C@H]1CN(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-JOYOIKCWSA-N
MW260.34 g/mol
LogP0.70
Rot. Bonds3

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

(3S,4S)-1-[(4-amino-5H-cyclopenta[d]pyrimidin-7-yl)methyl]-4-ethylpyrrolidin-3-ol (PubChem CID 58230420) has the molecular formula C14H20N4O and a molecular weight of 260.34 g/mol. Its IUPAC name is (3S,4S)-1-[(4-amino-5H-cyclopenta[d]pyrimidin-7-yl)methyl]-4-ethylpyrrolidin-3-ol.

Molecular Properties

Compound Name(3S,4S)-1-[(4-amino-5H-cyclopenta[d]pyrimidin-7-yl)methyl]-4-ethylpyrrolidin-3-ol
PubChem CID58230420
Molecular FormulaC14H20N4O
Molecular Weight260.34 g/mol
Exact Mass260.16
IUPAC Name(3S,4S)-1-[(4-amino-5H-cyclopenta[d]pyrimidin-7-yl)methyl]-4-ethylpyrrolidin-3-ol
SMILESCC[C@H]1CN(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-JOYOIKCWSA-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

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Frequently Asked Questions

What is the IUPAC name of (3S,4S)-1-[(4-amino-5H-cyclopenta[d]pyrimidin-7-yl)methyl]-4-ethylpyrrolidin-3-ol?
The IUPAC name of (3S,4S)-1-[(4-amino-5H-cyclopenta[d]pyrimidin-7-yl)methyl]-4-ethylpyrrolidin-3-ol (CID 58230420) is (3S,4S)-1-[(4-amino-5H-cyclopenta[d]pyrimidin-7-yl)methyl]-4-ethylpyrrolidin-3-ol.
What is the SMILES notation for (3S,4S)-1-[(4-amino-5H-cyclopenta[d]pyrimidin-7-yl)methyl]-4-ethylpyrrolidin-3-ol?
The canonical SMILES for (3S,4S)-1-[(4-amino-5H-cyclopenta[d]pyrimidin-7-yl)methyl]-4-ethylpyrrolidin-3-ol is CC[C@H]1CN(CC2=CCc3c(N)ncnc32)C[C@H]1O.
What is the InChIKey of (3S,4S)-1-[(4-amino-5H-cyclopenta[d]pyrimidin-7-yl)methyl]-4-ethylpyrrolidin-3-ol?
The InChIKey is RLGLNNMPCRICJW-JOYOIKCWSA-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 (3S,4S)-1-[(4-amino-5H-cyclopenta[d]pyrimidin-7-yl)methyl]-4-ethylpyrrolidin-3-ol?
(3S,4S)-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 (3S,4S)-1-[(4-amino-5H-cyclopenta[d]pyrimidin-7-yl)methyl]-4-ethylpyrrolidin-3-ol is sourced from PubChem (CID 58230420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).