trans-(1S,2S)-2-[[5-bromo-4-(methylamino)pyrimidin-2-yl]amino]cyclopentan-1-ol

C10H15BrN4O — CID 99857879

IUPACtrans-(1S,2S)-2-[[5-bromo-4-(methylamino)pyrimidin-2-yl]amino]cyclopentan-1-ol
SMILESCNc1nc(N[C@H]2CCC[C@@H]2O)ncc1Br
InChIInChI=1S/C10H15BrN4O/c1-12-9-6(11)5-13-10(15-9)14-7-3-2-4-8(7)16/h5,7-8,16H,2-4H2,1H3,(H2,12,13,14,15)/t7-,8-/m0/s1
InChIKeyQIYZTDXEEGFJKN-YUMQZZPRSA-N
MW287.16 g/mol
LogP1.61
Rot. Bonds3

About trans-(1S,2S)-2-[[5-bromo-4-(methylamino)pyrimidin-2-yl]amino]cyclopentan-1-ol

trans-(1S,2S)-2-[[5-bromo-4-(methylamino)pyrimidin-2-yl]amino]cyclopentan-1-ol (PubChem CID 99857879) has the molecular formula C10H15BrN4O and a molecular weight of 287.16 g/mol. Its IUPAC name is trans-(1S,2S)-2-[[5-bromo-4-(methylamino)pyrimidin-2-yl]amino]cyclopentan-1-ol.

Molecular Properties

Compound Nametrans-(1S,2S)-2-[[5-bromo-4-(methylamino)pyrimidin-2-yl]amino]cyclopentan-1-ol
PubChem CID99857879
Molecular FormulaC10H15BrN4O
Molecular Weight287.16 g/mol
Exact Mass286.04
IUPAC Nametrans-(1S,2S)-2-[[5-bromo-4-(methylamino)pyrimidin-2-yl]amino]cyclopentan-1-ol
SMILESCNc1nc(N[C@H]2CCC[C@@H]2O)ncc1Br
InChIInChI=1S/C10H15BrN4O/c1-12-9-6(11)5-13-10(15-9)14-7-3-2-4-8(7)16/h5,7-8,16H,2-4H2,1H3,(H2,12,13,14,15)/t7-,8-/m0/s1
InChIKeyQIYZTDXEEGFJKN-YUMQZZPRSA-N
XLogP1.61
TPSA70.07 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.16
LogP ≤ 51.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(5-bromo-2-hydrazinylpyrimidin-4-yl)amino]cyclohexan-1-ol
CID 80919191
5-bromo-4-N-(2-methoxycyclopentyl)-2-N-methylpyrimidine-2,4-diamine
CID 80817325
5-bromo-4-N-cycloheptyl-2-N-methylpyrimidine-2,4-diamine
CID 80771027
5-bromo-4-N-(2-ethylsulfanylcyclopentyl)-2-N-methylpyrimidine-2,4-diamine
CID 114122167
5-bromo-2-N-[(2R,3S)-2-(3,4-difluorophenyl)oxolan-3-yl]-4-N-methylpyrimidine-2,4-diamine
CID 99635271
5-bromo-N-methyl-2-(3-methylcyclohexyl)pyrimidin-4-amine
CID 66301834
(1R)-2-[[4,8-bis(methylamino)-6-(propylamino)pyrimido[5,4-d]pyrimidin-2-yl]amino]cyclohexan-1-ol
CID 134520466
2-[(8-methylpyrido[4,3-d]pyrimidin-2-yl)amino]cyclohexan-1-ol
CID 123931498
5-bromo-4-N-(2,2-dimethylcyclohexyl)-2-N-methylpyrimidine-2,4-diamine
CID 80849952
2-[[2,5-dimethyl-6-(methylamino)pyrimidin-4-yl]amino]cyclohexan-1-ol
CID 80826319
5-bromo-2-N-[(1,1-dioxothiolan-2-yl)methyl]-4-N-methylpyrimidine-2,4-diamine
CID 91661721
5-bromo-2-N-ethyl-4-N-(2-methylcyclohexyl)pyrimidine-2,4-diamine
CID 80777337

Frequently Asked Questions

What is the IUPAC name of trans-(1S,2S)-2-[[5-bromo-4-(methylamino)pyrimidin-2-yl]amino]cyclopentan-1-ol?
The IUPAC name of trans-(1S,2S)-2-[[5-bromo-4-(methylamino)pyrimidin-2-yl]amino]cyclopentan-1-ol (CID 99857879) is trans-(1S,2S)-2-[[5-bromo-4-(methylamino)pyrimidin-2-yl]amino]cyclopentan-1-ol.
What is the SMILES notation for trans-(1S,2S)-2-[[5-bromo-4-(methylamino)pyrimidin-2-yl]amino]cyclopentan-1-ol?
The canonical SMILES for trans-(1S,2S)-2-[[5-bromo-4-(methylamino)pyrimidin-2-yl]amino]cyclopentan-1-ol is CNc1nc(N[C@H]2CCC[C@@H]2O)ncc1Br.
What is the InChIKey of trans-(1S,2S)-2-[[5-bromo-4-(methylamino)pyrimidin-2-yl]amino]cyclopentan-1-ol?
The InChIKey is QIYZTDXEEGFJKN-YUMQZZPRSA-N. The full InChI is InChI=1S/C10H15BrN4O/c1-12-9-6(11)5-13-10(15-9)14-7-3-2-4-8(7)16/h5,7-8,16H,2-4H2,1H3,(H2,12,13,14,15)/t7-,8-/m0/s1.
What are the key properties of trans-(1S,2S)-2-[[5-bromo-4-(methylamino)pyrimidin-2-yl]amino]cyclopentan-1-ol?
trans-(1S,2S)-2-[[5-bromo-4-(methylamino)pyrimidin-2-yl]amino]cyclopentan-1-ol has a molecular weight of 287.16 g/mol, XLogP of 1.61, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,2S)-2-[[5-bromo-4-(methylamino)pyrimidin-2-yl]amino]cyclopentan-1-ol is sourced from PubChem (CID 99857879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).