4-N-[4-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]pyrimidin-2-yl]-1-N-methylcyclohexane-1,4-diamine

C19H28N6 — CID 126558959

IUPAC4-N-[4-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]pyrimidin-2-yl]-1-N-methylcyclohexane-1,4-diamine
SMILESCNC1CCC(Nc2nccc(-c3cnn(C)c3CC3CC3)n2)CC1
InChIInChI=1S/C19H28N6/c1-20-14-5-7-15(8-6-14)23-19-21-10-9-17(24-19)16-12-22-25(2)18(16)11-13-3-4-13/h9-10,12-15,20H,3-8,11H2,1-2H3,(H,21,23,24)
InChIKeyZUQCLHVZQIXVSA-UHFFFAOYSA-N
MW340.48 g/mol
LogP2.77
Rot. Bonds6

About 4-N-[4-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]pyrimidin-2-yl]-1-N-methylcyclohexane-1,4-diamine

4-N-[4-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]pyrimidin-2-yl]-1-N-methylcyclohexane-1,4-diamine (PubChem CID 126558959) has the molecular formula C19H28N6 and a molecular weight of 340.48 g/mol. Its IUPAC name is 4-N-[4-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]pyrimidin-2-yl]-1-N-methylcyclohexane-1,4-diamine.

Molecular Properties

Compound Name4-N-[4-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]pyrimidin-2-yl]-1-N-methylcyclohexane-1,4-diamine
PubChem CID126558959
Molecular FormulaC19H28N6
Molecular Weight340.48 g/mol
Exact Mass340.24
IUPAC Name4-N-[4-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]pyrimidin-2-yl]-1-N-methylcyclohexane-1,4-diamine
SMILESCNC1CCC(Nc2nccc(-c3cnn(C)c3CC3CC3)n2)CC1
InChIInChI=1S/C19H28N6/c1-20-14-5-7-15(8-6-14)23-19-21-10-9-17(24-19)16-12-22-25(2)18(16)11-13-3-4-13/h9-10,12-15,20H,3-8,11H2,1-2H3,(H,21,23,24)
InChIKeyZUQCLHVZQIXVSA-UHFFFAOYSA-N
XLogP2.77
TPSA67.66 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.48
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-N-[4-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]pyrimidin-2-yl]-1-N-methylcyclohexane-1,4-diamine with MolForge

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Related Compounds

4-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]-N-(4-morpholin-4-ylcyclohexyl)pyrimidin-2-amine
CID 126558969
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-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]-2-[(4-piperidin-1-ylcyclohexyl)methyl]pyrimidine
CID 140891274
5-[2-(cyclopentylamino)pyrimidin-4-yl]-4-(cyclopropylmethyl)-N-methylpyrimidin-2-amine
CID 57404842
4-[[4-(1-methyl-5-piperazin-1-ylpyrazol-4-yl)pyrimidin-2-yl]amino]cyclohexan-1-ol
CID 143575101
4-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]-2-[(3R)-3-methyl-4-(4-pyrrolidin-1-ylcyclohexyl)butan-2-yl]pyrimidine
CID 126559911
4-N-[4-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]pyrimidin-2-yl]-4-N-(2-methoxyethyl)cyclohexane-1,4-diamine
CID 175183375
4-N-[5-chloro-4-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]pyrimidin-2-yl]-1-N-pent-4-ynylcyclohexane-1,4-diamine
CID 139408375
4-(5-amino-1-methylpyrazol-4-yl)-N-[1-(2-methylpropylsulfonyl)piperidin-4-yl]pyrimidin-2-amine
CID 70312473

Frequently Asked Questions

What is the IUPAC name of 4-N-[4-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]pyrimidin-2-yl]-1-N-methylcyclohexane-1,4-diamine?
The IUPAC name of 4-N-[4-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]pyrimidin-2-yl]-1-N-methylcyclohexane-1,4-diamine (CID 126558959) is 4-N-[4-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]pyrimidin-2-yl]-1-N-methylcyclohexane-1,4-diamine.
What is the SMILES notation for 4-N-[4-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]pyrimidin-2-yl]-1-N-methylcyclohexane-1,4-diamine?
The canonical SMILES for 4-N-[4-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]pyrimidin-2-yl]-1-N-methylcyclohexane-1,4-diamine is CNC1CCC(Nc2nccc(-c3cnn(C)c3CC3CC3)n2)CC1.
What is the InChIKey of 4-N-[4-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]pyrimidin-2-yl]-1-N-methylcyclohexane-1,4-diamine?
The InChIKey is ZUQCLHVZQIXVSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N6/c1-20-14-5-7-15(8-6-14)23-19-21-10-9-17(24-19)16-12-22-25(2)18(16)11-13-3-4-13/h9-10,12-15,20H,3-8,11H2,1-2H3,(H,21,23,24).
What are the key properties of 4-N-[4-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]pyrimidin-2-yl]-1-N-methylcyclohexane-1,4-diamine?
4-N-[4-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]pyrimidin-2-yl]-1-N-methylcyclohexane-1,4-diamine has a molecular weight of 340.48 g/mol, XLogP of 2.77, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[4-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]pyrimidin-2-yl]-1-N-methylcyclohexane-1,4-diamine is sourced from PubChem (CID 126558959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).