1-[4-[6-chloro-5-(methylamino)pyrimidin-4-yl]-2-methylpiperazin-1-yl]propan-2-ol

C13H22ClN5O — CID 133464451

IUPAC1-[4-[6-chloro-5-(methylamino)pyrimidin-4-yl]-2-methylpiperazin-1-yl]propan-2-ol
SMILESCNc1c(Cl)ncnc1N1CCN(CC(C)O)C(C)C1
InChIInChI=1S/C13H22ClN5O/c1-9-6-19(5-4-18(9)7-10(2)20)13-11(15-3)12(14)16-8-17-13/h8-10,15,20H,4-7H2,1-3H3
InChIKeyKAPQUMGUMNYBIR-UHFFFAOYSA-N
MW299.81 g/mol
LogP1.06
Rot. Bonds4

About 1-[4-[6-chloro-5-(methylamino)pyrimidin-4-yl]-2-methylpiperazin-1-yl]propan-2-ol

1-[4-[6-chloro-5-(methylamino)pyrimidin-4-yl]-2-methylpiperazin-1-yl]propan-2-ol (PubChem CID 133464451) has the molecular formula C13H22ClN5O and a molecular weight of 299.81 g/mol. Its IUPAC name is 1-[4-[6-chloro-5-(methylamino)pyrimidin-4-yl]-2-methylpiperazin-1-yl]propan-2-ol.

Molecular Properties

Compound Name1-[4-[6-chloro-5-(methylamino)pyrimidin-4-yl]-2-methylpiperazin-1-yl]propan-2-ol
PubChem CID133464451
Molecular FormulaC13H22ClN5O
Molecular Weight299.81 g/mol
Exact Mass299.15
IUPAC Name1-[4-[6-chloro-5-(methylamino)pyrimidin-4-yl]-2-methylpiperazin-1-yl]propan-2-ol
SMILESCNc1c(Cl)ncnc1N1CCN(CC(C)O)C(C)C1
InChIInChI=1S/C13H22ClN5O/c1-9-6-19(5-4-18(9)7-10(2)20)13-11(15-3)12(14)16-8-17-13/h8-10,15,20H,4-7H2,1-3H3
InChIKeyKAPQUMGUMNYBIR-UHFFFAOYSA-N
XLogP1.06
TPSA64.52 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.81
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-chloro-5-ethyl-6-(4-ethyl-3-methylpiperazin-1-yl)pyrimidine
CID 63728895
2-[4-(2-hydroxypropyl)-3-methylpiperazin-1-yl]pyridine-3-carbonitrile
CID 56778013
6-[(3S)-4-[(2S)-2-hydroxypropyl]-3-methylpiperazin-1-yl]pyridine-3-carbonitrile
CID 100838375
4-chloro-N-methyl-6-[(2R)-2-[(2S)-oxolan-2-yl]morpholin-4-yl]pyrimidin-5-amine
CID 99609076
(2S)-1-[(2S)-2-methyl-4-quinoxalin-2-ylpiperazin-1-yl]propan-2-ol
CID 98763653
(2S)-1-[(2R)-2-ethyl-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperazin-1-yl]propan-2-ol
CID 98774925
(2S)-1-[(2R)-2-methyl-4-(2-phenylpyrimidin-4-yl)piperazin-1-yl]propan-2-ol
CID 124840029
(2R)-1-[(2S)-4-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-2-ethylpiperazin-1-yl]propan-2-ol
CID 95764162
(2S)-1-[(3R)-4-[(2R)-2-hydroxypropyl]-3-methylpiperazin-1-yl]propan-2-ol
CID 124776706
(2S)-1-[(2R)-4-[4-(dimethylamino)-6-methylpyrimidin-2-yl]-2-methylpiperazin-1-yl]propan-2-ol
CID 124737207
4-chloro-N-methyl-6-[4-(oxan-4-yloxy)piperidin-1-yl]pyrimidin-5-amine
CID 133464624
4-chloro-N-methyl-6-[4-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazin-1-yl]pyrimidin-5-amine
CID 133464425

Frequently Asked Questions

What is the IUPAC name of 1-[4-[6-chloro-5-(methylamino)pyrimidin-4-yl]-2-methylpiperazin-1-yl]propan-2-ol?
The IUPAC name of 1-[4-[6-chloro-5-(methylamino)pyrimidin-4-yl]-2-methylpiperazin-1-yl]propan-2-ol (CID 133464451) is 1-[4-[6-chloro-5-(methylamino)pyrimidin-4-yl]-2-methylpiperazin-1-yl]propan-2-ol.
What is the SMILES notation for 1-[4-[6-chloro-5-(methylamino)pyrimidin-4-yl]-2-methylpiperazin-1-yl]propan-2-ol?
The canonical SMILES for 1-[4-[6-chloro-5-(methylamino)pyrimidin-4-yl]-2-methylpiperazin-1-yl]propan-2-ol is CNc1c(Cl)ncnc1N1CCN(CC(C)O)C(C)C1.
What is the InChIKey of 1-[4-[6-chloro-5-(methylamino)pyrimidin-4-yl]-2-methylpiperazin-1-yl]propan-2-ol?
The InChIKey is KAPQUMGUMNYBIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22ClN5O/c1-9-6-19(5-4-18(9)7-10(2)20)13-11(15-3)12(14)16-8-17-13/h8-10,15,20H,4-7H2,1-3H3.
What are the key properties of 1-[4-[6-chloro-5-(methylamino)pyrimidin-4-yl]-2-methylpiperazin-1-yl]propan-2-ol?
1-[4-[6-chloro-5-(methylamino)pyrimidin-4-yl]-2-methylpiperazin-1-yl]propan-2-ol has a molecular weight of 299.81 g/mol, XLogP of 1.06, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[6-chloro-5-(methylamino)pyrimidin-4-yl]-2-methylpiperazin-1-yl]propan-2-ol is sourced from PubChem (CID 133464451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).