cyclohexanol;4-[1-methyl-5-(prop-1-en-2-ylamino)pyrazol-4-yl]pyrimidin-2-amine

C17H26N6O — CID 143575181

IUPACcyclohexanol;4-[1-methyl-5-(prop-1-en-2-ylamino)pyrazol-4-yl]pyrimidin-2-amine
SMILESC=C(C)Nc1c(-c2ccnc(N)n2)cnn1C.OC1CCCCC1
InChIInChI=1S/C11H14N6.C6H12O/c1-7(2)15-10-8(6-14-17(10)3)9-4-5-13-11(12)16-9;7-6-4-2-1-3-5-6/h4-6,15H,1H2,2-3H3,(H2,12,13,16);6-7H,1-5H2
InChIKeyKHTXPDFLKWGHHX-UHFFFAOYSA-N
MW330.44 g/mol
LogP2.72
Rot. Bonds3

About cyclohexanol;4-[1-methyl-5-(prop-1-en-2-ylamino)pyrazol-4-yl]pyrimidin-2-amine

cyclohexanol;4-[1-methyl-5-(prop-1-en-2-ylamino)pyrazol-4-yl]pyrimidin-2-amine (PubChem CID 143575181) has the molecular formula C17H26N6O and a molecular weight of 330.44 g/mol. Its IUPAC name is cyclohexanol;4-[1-methyl-5-(prop-1-en-2-ylamino)pyrazol-4-yl]pyrimidin-2-amine.

Molecular Properties

Compound Namecyclohexanol;4-[1-methyl-5-(prop-1-en-2-ylamino)pyrazol-4-yl]pyrimidin-2-amine
PubChem CID143575181
Molecular FormulaC17H26N6O
Molecular Weight330.44 g/mol
Exact Mass330.22
IUPAC Namecyclohexanol;4-[1-methyl-5-(prop-1-en-2-ylamino)pyrazol-4-yl]pyrimidin-2-amine
SMILESC=C(C)Nc1c(-c2ccnc(N)n2)cnn1C.OC1CCCCC1
InChIInChI=1S/C11H14N6.C6H12O/c1-7(2)15-10-8(6-14-17(10)3)9-4-5-13-11(12)16-9;7-6-4-2-1-3-5-6/h4-6,15H,1H2,2-3H3,(H2,12,13,16);6-7H,1-5H2
InChIKeyKHTXPDFLKWGHHX-UHFFFAOYSA-N
XLogP2.72
TPSA101.88 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.44
LogP ≤ 52.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

4-[[4-(1,5-dimethylpyrazol-4-yl)pyrimidin-2-yl]amino]cyclohexan-1-ol
CID 143574911
4-[[4-(1-methyl-5-piperazin-1-ylpyrazol-4-yl)pyrimidin-2-yl]amino]cyclohexan-1-ol
CID 143575101
4-[[5-(2-aminopyrimidin-4-yl)-2-(butylamino)pyrimidin-4-yl]amino]cyclohexan-1-ol
CID 118439924
(3R)-1-[3-(2-aminopyrimidin-4-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]pyrrolidin-3-ol
CID 45102216
(3S)-1-[3-(2-aminopyrimidin-4-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]pyrrolidin-3-ol
CID 45102218
1-[3-(2-aminopyrimidin-4-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]pyrrolidine-3,4-diol
CID 75089872
4-[[4-[5-(cyclopentylmethyl)-1-methylpyrazol-4-yl]pyrimidin-2-yl]methyl]cyclohexan-1-amine
CID 140891300
1-[3-amino-6-(1,5-dimethylpyrazol-4-yl)-2-pyridinyl]-1-cyclobutyl-3-pyridin-2-ylurea
CID 130437449
2-[1-[3-(2-aminopyrimidin-4-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]pyrrolidin-2-yl]propan-2-ol
CID 75090822
1-[(2S)-1-[3-(2-aminopyrimidin-4-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]pyrrolidin-2-yl]ethanol
CID 150895011
1-[4-[[4-(5-amino-1-methylpyrazol-4-yl)pyrimidin-2-yl]amino]cyclohexyl]-3-phenylurea
CID 70313203
[(2S)-1-[3-(2-aminopyrimidin-4-yl)-5-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl]pyrrolidin-2-yl]methanol
CID 58395918

Frequently Asked Questions

What is the IUPAC name of cyclohexanol;4-[1-methyl-5-(prop-1-en-2-ylamino)pyrazol-4-yl]pyrimidin-2-amine?
The IUPAC name of cyclohexanol;4-[1-methyl-5-(prop-1-en-2-ylamino)pyrazol-4-yl]pyrimidin-2-amine (CID 143575181) is cyclohexanol;4-[1-methyl-5-(prop-1-en-2-ylamino)pyrazol-4-yl]pyrimidin-2-amine.
What is the SMILES notation for cyclohexanol;4-[1-methyl-5-(prop-1-en-2-ylamino)pyrazol-4-yl]pyrimidin-2-amine?
The canonical SMILES for cyclohexanol;4-[1-methyl-5-(prop-1-en-2-ylamino)pyrazol-4-yl]pyrimidin-2-amine is C=C(C)Nc1c(-c2ccnc(N)n2)cnn1C.OC1CCCCC1.
What is the InChIKey of cyclohexanol;4-[1-methyl-5-(prop-1-en-2-ylamino)pyrazol-4-yl]pyrimidin-2-amine?
The InChIKey is KHTXPDFLKWGHHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N6.C6H12O/c1-7(2)15-10-8(6-14-17(10)3)9-4-5-13-11(12)16-9;7-6-4-2-1-3-5-6/h4-6,15H,1H2,2-3H3,(H2,12,13,16);6-7H,1-5H2.
What are the key properties of cyclohexanol;4-[1-methyl-5-(prop-1-en-2-ylamino)pyrazol-4-yl]pyrimidin-2-amine?
cyclohexanol;4-[1-methyl-5-(prop-1-en-2-ylamino)pyrazol-4-yl]pyrimidin-2-amine has a molecular weight of 330.44 g/mol, XLogP of 2.72, 3 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexanol;4-[1-methyl-5-(prop-1-en-2-ylamino)pyrazol-4-yl]pyrimidin-2-amine is sourced from PubChem (CID 143575181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).