4-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]-N-(4-morpholin-4-ylcyclohexyl)pyrimidin-2-amine

C22H32N6O — CID 126558969

IUPAC4-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]-N-(4-morpholin-4-ylcyclohexyl)pyrimidin-2-amine
SMILESCn1ncc(-c2ccnc(NC3CCC(N4CCOCC4)CC3)n2)c1CC1CC1
InChIInChI=1S/C22H32N6O/c1-27-21(14-16-2-3-16)19(15-24-27)20-8-9-23-22(26-20)25-17-4-6-18(7-5-17)28-10-12-29-13-11-28/h8-9,15-18H,2-7,10-14H2,1H3,(H,23,25,26)
InChIKeyYVGBGSOKLQRULU-UHFFFAOYSA-N
MW396.54 g/mol
LogP2.88
Rot. Bonds6

About 4-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]-N-(4-morpholin-4-ylcyclohexyl)pyrimidin-2-amine

4-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]-N-(4-morpholin-4-ylcyclohexyl)pyrimidin-2-amine (PubChem CID 126558969) has the molecular formula C22H32N6O and a molecular weight of 396.54 g/mol. Its IUPAC name is 4-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]-N-(4-morpholin-4-ylcyclohexyl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]-N-(4-morpholin-4-ylcyclohexyl)pyrimidin-2-amine
PubChem CID126558969
Molecular FormulaC22H32N6O
Molecular Weight396.54 g/mol
Exact Mass396.26
IUPAC Name4-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]-N-(4-morpholin-4-ylcyclohexyl)pyrimidin-2-amine
SMILESCn1ncc(-c2ccnc(NC3CCC(N4CCOCC4)CC3)n2)c1CC1CC1
InChIInChI=1S/C22H32N6O/c1-27-21(14-16-2-3-16)19(15-24-27)20-8-9-23-22(26-20)25-17-4-6-18(7-5-17)28-10-12-29-13-11-28/h8-9,15-18H,2-7,10-14H2,1H3,(H,23,25,26)
InChIKeyYVGBGSOKLQRULU-UHFFFAOYSA-N
XLogP2.88
TPSA68.10 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.54
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 4-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]-N-(4-morpholin-4-ylcyclohexyl)pyrimidin-2-amine with MolForge

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Related Compounds

4-N-[4-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]pyrimidin-2-yl]-1-N-methylcyclohexane-1,4-diamine
CID 126558959
4-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]-2-[(4-piperidin-1-ylcyclohexyl)methyl]pyrimidine
CID 140891274
4-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]-2-[(3R)-3-methyl-4-(4-pyrrolidin-1-ylcyclohexyl)butan-2-yl]pyrimidine
CID 126559911
2-N-(4-aminocyclohexyl)-6-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]pyrimidine-2,4-diamine
CID 135301368
4-[[4-(1,5-dimethylpyrazol-4-yl)pyrimidin-2-yl]amino]cyclohexan-1-ol
CID 143574911
2-butan-2-yl-4-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]pyrimidine
CID 166750742
4-[[4-[5-(cyclopentylmethyl)-1-methylpyrazol-4-yl]pyrimidin-2-yl]methyl]cyclohexan-1-amine
CID 140891300
4-[[4-(1-methyl-5-piperazin-1-ylpyrazol-4-yl)pyrimidin-2-yl]amino]cyclohexan-1-ol
CID 143575101
4-(1,3-dimethylpyrazol-4-yl)-N-(oxan-4-yl)pyrimidin-2-amine
CID 46988994
4-N-[4-[1-methyl-3-(oxan-4-yl)pyrazol-4-yl]pyrimidin-2-yl]cyclohexane-1,4-diamine
CID 155376835
5-[2-(cyclopentylamino)pyrimidin-4-yl]-4-(cyclopropylmethyl)-N-methylpyrimidin-2-amine
CID 57404842
4-[5-(cyclopropylmethyl)-1-(oxetan-3-yl)pyrazol-4-yl]-2-methylsulfanylpyrimidine
CID 135274324

Frequently Asked Questions

What is the IUPAC name of 4-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]-N-(4-morpholin-4-ylcyclohexyl)pyrimidin-2-amine?
The IUPAC name of 4-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]-N-(4-morpholin-4-ylcyclohexyl)pyrimidin-2-amine (CID 126558969) is 4-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]-N-(4-morpholin-4-ylcyclohexyl)pyrimidin-2-amine.
What is the SMILES notation for 4-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]-N-(4-morpholin-4-ylcyclohexyl)pyrimidin-2-amine?
The canonical SMILES for 4-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]-N-(4-morpholin-4-ylcyclohexyl)pyrimidin-2-amine is Cn1ncc(-c2ccnc(NC3CCC(N4CCOCC4)CC3)n2)c1CC1CC1.
What is the InChIKey of 4-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]-N-(4-morpholin-4-ylcyclohexyl)pyrimidin-2-amine?
The InChIKey is YVGBGSOKLQRULU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N6O/c1-27-21(14-16-2-3-16)19(15-24-27)20-8-9-23-22(26-20)25-17-4-6-18(7-5-17)28-10-12-29-13-11-28/h8-9,15-18H,2-7,10-14H2,1H3,(H,23,25,26).
What are the key properties of 4-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]-N-(4-morpholin-4-ylcyclohexyl)pyrimidin-2-amine?
4-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]-N-(4-morpholin-4-ylcyclohexyl)pyrimidin-2-amine has a molecular weight of 396.54 g/mol, XLogP of 2.88, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]-N-(4-morpholin-4-ylcyclohexyl)pyrimidin-2-amine is sourced from PubChem (CID 126558969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).