(3S,4S)-1-(2-amino-6-cyclopentylpyrimidin-4-yl)-4-(methylamino)pyrrolidin-3-ol

C14H23N5O — CID 24994636

IUPAC(3S,4S)-1-(2-amino-6-cyclopentylpyrimidin-4-yl)-4-(methylamino)pyrrolidin-3-ol
SMILESCN[C@H]1CN(c2cc(C3CCCC3)nc(N)n2)C[C@@H]1O
InChIInChI=1S/C14H23N5O/c1-16-11-7-19(8-12(11)20)13-6-10(17-14(15)18-13)9-4-2-3-5-9/h6,9,11-12,16,20H,2-5,7-8H2,1H3,(H2,15,17,18)/t11-,12-/m0/s1
InChIKeyADNLUQHYCDGVML-RYUDHWBXSA-N
MW277.37 g/mol
LogP0.49
Rot. Bonds3

About (3S,4S)-1-(2-amino-6-cyclopentylpyrimidin-4-yl)-4-(methylamino)pyrrolidin-3-ol

(3S,4S)-1-(2-amino-6-cyclopentylpyrimidin-4-yl)-4-(methylamino)pyrrolidin-3-ol (PubChem CID 24994636) has the molecular formula C14H23N5O and a molecular weight of 277.37 g/mol. Its IUPAC name is (3S,4S)-1-(2-amino-6-cyclopentylpyrimidin-4-yl)-4-(methylamino)pyrrolidin-3-ol.

Molecular Properties

Compound Name(3S,4S)-1-(2-amino-6-cyclopentylpyrimidin-4-yl)-4-(methylamino)pyrrolidin-3-ol
PubChem CID24994636
Molecular FormulaC14H23N5O
Molecular Weight277.37 g/mol
Exact Mass277.19
IUPAC Name(3S,4S)-1-(2-amino-6-cyclopentylpyrimidin-4-yl)-4-(methylamino)pyrrolidin-3-ol
SMILESCN[C@H]1CN(c2cc(C3CCCC3)nc(N)n2)C[C@@H]1O
InChIInChI=1S/C14H23N5O/c1-16-11-7-19(8-12(11)20)13-6-10(17-14(15)18-13)9-4-2-3-5-9/h6,9,11-12,16,20H,2-5,7-8H2,1H3,(H2,15,17,18)/t11-,12-/m0/s1
InChIKeyADNLUQHYCDGVML-RYUDHWBXSA-N
XLogP0.49
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 50.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (3S,4S)-1-(2-amino-6-cyclopentylpyrimidin-4-yl)-4-(methylamino)pyrrolidin-3-ol?
The IUPAC name of (3S,4S)-1-(2-amino-6-cyclopentylpyrimidin-4-yl)-4-(methylamino)pyrrolidin-3-ol (CID 24994636) is (3S,4S)-1-(2-amino-6-cyclopentylpyrimidin-4-yl)-4-(methylamino)pyrrolidin-3-ol.
What is the SMILES notation for (3S,4S)-1-(2-amino-6-cyclopentylpyrimidin-4-yl)-4-(methylamino)pyrrolidin-3-ol?
The canonical SMILES for (3S,4S)-1-(2-amino-6-cyclopentylpyrimidin-4-yl)-4-(methylamino)pyrrolidin-3-ol is CN[C@H]1CN(c2cc(C3CCCC3)nc(N)n2)C[C@@H]1O.
What is the InChIKey of (3S,4S)-1-(2-amino-6-cyclopentylpyrimidin-4-yl)-4-(methylamino)pyrrolidin-3-ol?
The InChIKey is ADNLUQHYCDGVML-RYUDHWBXSA-N. The full InChI is InChI=1S/C14H23N5O/c1-16-11-7-19(8-12(11)20)13-6-10(17-14(15)18-13)9-4-2-3-5-9/h6,9,11-12,16,20H,2-5,7-8H2,1H3,(H2,15,17,18)/t11-,12-/m0/s1.
What are the key properties of (3S,4S)-1-(2-amino-6-cyclopentylpyrimidin-4-yl)-4-(methylamino)pyrrolidin-3-ol?
(3S,4S)-1-(2-amino-6-cyclopentylpyrimidin-4-yl)-4-(methylamino)pyrrolidin-3-ol has a molecular weight of 277.37 g/mol, XLogP of 0.49, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-1-(2-amino-6-cyclopentylpyrimidin-4-yl)-4-(methylamino)pyrrolidin-3-ol is sourced from PubChem (CID 24994636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).