cis-(1R,3S)-3-(pyrimidin-5-ylmethylamino)cyclopentan-1-ol

C10H15N3O — CID 130735711

IUPACcis-(1R,3S)-3-(pyrimidin-5-ylmethylamino)cyclopentan-1-ol
SMILESO[C@@H]1CC[C@H](NCc2cncnc2)C1
InChIInChI=1S/C10H15N3O/c14-10-2-1-9(3-10)13-6-8-4-11-7-12-5-8/h4-5,7,9-10,13-14H,1-3,6H2/t9-,10+/m0/s1
InChIKeyRWNLJENDAVQYDH-VHSXEESVSA-N
MW193.25 g/mol
LogP0.48
Rot. Bonds3

About cis-(1R,3S)-3-(pyrimidin-5-ylmethylamino)cyclopentan-1-ol

cis-(1R,3S)-3-(pyrimidin-5-ylmethylamino)cyclopentan-1-ol (PubChem CID 130735711) has the molecular formula C10H15N3O and a molecular weight of 193.25 g/mol. Its IUPAC name is cis-(1R,3S)-3-(pyrimidin-5-ylmethylamino)cyclopentan-1-ol.

Molecular Properties

Compound Namecis-(1R,3S)-3-(pyrimidin-5-ylmethylamino)cyclopentan-1-ol
PubChem CID130735711
Molecular FormulaC10H15N3O
Molecular Weight193.25 g/mol
Exact Mass193.12
IUPAC Namecis-(1R,3S)-3-(pyrimidin-5-ylmethylamino)cyclopentan-1-ol
SMILESO[C@@H]1CC[C@H](NCc2cncnc2)C1
InChIInChI=1S/C10H15N3O/c14-10-2-1-9(3-10)13-6-8-4-11-7-12-5-8/h4-5,7,9-10,13-14H,1-3,6H2/t9-,10+/m0/s1
InChIKeyRWNLJENDAVQYDH-VHSXEESVSA-N
XLogP0.48
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 50.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-N-(pyrimidin-5-ylmethyl)oxan-4-amine
CID 103887825
4-ethyl-N-(pyrimidin-5-ylmethyl)cyclohexan-1-amine
CID 62758802
cis-(1S,3S)-3-benzyl-N-(pyrimidin-5-ylmethyl)cyclopentan-1-amine
CID 99828152
(3R)-N-(pyrimidin-5-ylmethyl)oxan-3-amine
CID 130660711
cis-(1R,2S)-2-methyl-N-(pyrimidin-5-ylmethyl)cyclohexan-1-amine
CID 94577889
N-(pyrimidin-5-ylmethyl)-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine
CID 62758792
cis-(1R,3S)-3-[(4-methyl-1,3-thiazol-5-yl)methylamino]cyclopentan-1-ol
CID 131209084
1-ethyl-N-(pyrimidin-5-ylmethyl)piperidin-3-amine
CID 62759751
3-[(1-tert-butylpyrazol-4-yl)methylamino]cyclohexan-1-ol
CID 43792359
2,6-dimethyl-N-(pyrimidin-5-ylmethyl)piperidin-1-amine
CID 83006721
1-N,4-N-bis(pyridin-3-ylmethyl)cyclohexane-1,4-diamine
CID 139088209
4-[[4-(hydroxymethyl)phenyl]methylamino]cyclohexan-1-ol
CID 107229822

Frequently Asked Questions

What is the IUPAC name of cis-(1R,3S)-3-(pyrimidin-5-ylmethylamino)cyclopentan-1-ol?
The IUPAC name of cis-(1R,3S)-3-(pyrimidin-5-ylmethylamino)cyclopentan-1-ol (CID 130735711) is cis-(1R,3S)-3-(pyrimidin-5-ylmethylamino)cyclopentan-1-ol.
What is the SMILES notation for cis-(1R,3S)-3-(pyrimidin-5-ylmethylamino)cyclopentan-1-ol?
The canonical SMILES for cis-(1R,3S)-3-(pyrimidin-5-ylmethylamino)cyclopentan-1-ol is O[C@@H]1CC[C@H](NCc2cncnc2)C1.
What is the InChIKey of cis-(1R,3S)-3-(pyrimidin-5-ylmethylamino)cyclopentan-1-ol?
The InChIKey is RWNLJENDAVQYDH-VHSXEESVSA-N. The full InChI is InChI=1S/C10H15N3O/c14-10-2-1-9(3-10)13-6-8-4-11-7-12-5-8/h4-5,7,9-10,13-14H,1-3,6H2/t9-,10+/m0/s1.
What are the key properties of cis-(1R,3S)-3-(pyrimidin-5-ylmethylamino)cyclopentan-1-ol?
cis-(1R,3S)-3-(pyrimidin-5-ylmethylamino)cyclopentan-1-ol has a molecular weight of 193.25 g/mol, XLogP of 0.48, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,3S)-3-(pyrimidin-5-ylmethylamino)cyclopentan-1-ol is sourced from PubChem (CID 130735711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).