(2S)-2-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)propan-1-ol

C10H15N3O — CID 94878013

IUPAC(2S)-2-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)propan-1-ol
SMILESC[C@@H](CO)Nc1ncnc2c1CCC2
InChIInChI=1S/C10H15N3O/c1-7(5-14)13-10-8-3-2-4-9(8)11-6-12-10/h6-7,14H,2-5H2,1H3,(H,11,12,13)/t7-/m0/s1
InChIKeyBAKFVTXCUKMMKX-ZETCQYMHSA-N
MW193.25 g/mol
LogP0.76
Rot. Bonds3

About (2S)-2-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)propan-1-ol

(2S)-2-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)propan-1-ol (PubChem CID 94878013) has the molecular formula C10H15N3O and a molecular weight of 193.25 g/mol. Its IUPAC name is (2S)-2-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)propan-1-ol.

Molecular Properties

Compound Name(2S)-2-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)propan-1-ol
PubChem CID94878013
Molecular FormulaC10H15N3O
Molecular Weight193.25 g/mol
Exact Mass193.12
IUPAC Name(2S)-2-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)propan-1-ol
SMILESC[C@@H](CO)Nc1ncnc2c1CCC2
InChIInChI=1S/C10H15N3O/c1-7(5-14)13-10-8-3-2-4-9(8)11-6-12-10/h6-7,14H,2-5H2,1H3,(H,11,12,13)/t7-/m0/s1
InChIKeyBAKFVTXCUKMMKX-ZETCQYMHSA-N
XLogP0.76
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 ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-N-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-1-N,1-N-diethylpropane-1,2-diamine
CID 62831516
2-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)-3-methylbutanamide
CID 103850263
methyl 2-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)propanoate
CID 62831506
N-(1-thiophen-2-ylpropan-2-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
CID 63184676
2-N-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-4-methylpentane-1,2-diamine
CID 63760989
N-[(2R)-1-(4-methylpyrazol-1-yl)propan-2-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
CID 95297021
2-methyl-5-(5,6,7,8-tetrahydroquinazolin-4-ylamino)pentan-1-ol
CID 103858517
2-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)-2-(hydroxymethyl)propane-1,3-diol
CID 114008881
2-N-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)pentane-1,2-diamine
CID 65193301
N-[1-(4-fluorophenyl)ethyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
CID 62831336
N-octan-4-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
CID 114138445
1-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)-2-methylpropan-2-ol
CID 63777387

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)propan-1-ol?
The IUPAC name of (2S)-2-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)propan-1-ol (CID 94878013) is (2S)-2-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)propan-1-ol.
What is the SMILES notation for (2S)-2-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)propan-1-ol?
The canonical SMILES for (2S)-2-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)propan-1-ol is C[C@@H](CO)Nc1ncnc2c1CCC2.
What is the InChIKey of (2S)-2-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)propan-1-ol?
The InChIKey is BAKFVTXCUKMMKX-ZETCQYMHSA-N. The full InChI is InChI=1S/C10H15N3O/c1-7(5-14)13-10-8-3-2-4-9(8)11-6-12-10/h6-7,14H,2-5H2,1H3,(H,11,12,13)/t7-/m0/s1.
What are the key properties of (2S)-2-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)propan-1-ol?
(2S)-2-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)propan-1-ol has a molecular weight of 193.25 g/mol, XLogP of 0.76, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)propan-1-ol is sourced from PubChem (CID 94878013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).