4-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]-2-[(4-piperidin-1-ylcyclohexyl)methyl]pyrimidine

C24H35N5 — CID 140891274

IUPAC4-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]-2-[(4-piperidin-1-ylcyclohexyl)methyl]pyrimidine
SMILESCn1ncc(-c2ccnc(CC3CCC(N4CCCCC4)CC3)n2)c1CC1CC1
InChIInChI=1S/C24H35N5/c1-28-23(15-18-5-6-18)21(17-26-28)22-11-12-25-24(27-22)16-19-7-9-20(10-8-19)29-13-3-2-4-14-29/h11-12,17-20H,2-10,13-16H2,1H3
InChIKeySIPUMZYEVHDGNR-UHFFFAOYSA-N
MW393.58 g/mol
LogP4.42
Rot. Bonds6

About 4-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]-2-[(4-piperidin-1-ylcyclohexyl)methyl]pyrimidine

4-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]-2-[(4-piperidin-1-ylcyclohexyl)methyl]pyrimidine (PubChem CID 140891274) has the molecular formula C24H35N5 and a molecular weight of 393.58 g/mol. Its IUPAC name is 4-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]-2-[(4-piperidin-1-ylcyclohexyl)methyl]pyrimidine.

Molecular Properties

Compound Name4-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]-2-[(4-piperidin-1-ylcyclohexyl)methyl]pyrimidine
PubChem CID140891274
Molecular FormulaC24H35N5
Molecular Weight393.58 g/mol
Exact Mass393.29
IUPAC Name4-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]-2-[(4-piperidin-1-ylcyclohexyl)methyl]pyrimidine
SMILESCn1ncc(-c2ccnc(CC3CCC(N4CCCCC4)CC3)n2)c1CC1CC1
InChIInChI=1S/C24H35N5/c1-28-23(15-18-5-6-18)21(17-26-28)22-11-12-25-24(27-22)16-19-7-9-20(10-8-19)29-13-3-2-4-14-29/h11-12,17-20H,2-10,13-16H2,1H3
InChIKeySIPUMZYEVHDGNR-UHFFFAOYSA-N
XLogP4.42
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.58
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

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-[(3R)-3-methyl-4-(4-pyrrolidin-1-ylcyclohexyl)butan-2-yl]pyrimidine
CID 126559911
4-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]-N-(4-morpholin-4-ylcyclohexyl)pyrimidin-2-amine
CID 126558969
4-N-[4-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]pyrimidin-2-yl]-1-N-methylcyclohexane-1,4-diamine
CID 126558959
2-butan-2-yl-4-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]pyrimidine
CID 166750742
5-chloro-4-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]-2-[(4-pyrazol-1-ylcyclohexyl)methyl]pyrimidine
CID 140891296
4-N-[4-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]pyrimidin-2-yl]-4-N-(2-methoxyethyl)cyclohexane-1,4-diamine
CID 175183375
4-[5-(cyclopropylmethyl)-1-(oxetan-3-yl)pyrazol-4-yl]-2-methylsulfanylpyrimidine
CID 135274324
2-(4-cyclohexyl-3-methylbutan-2-yl)-4-[5-(cyclopropylmethyl)-1-(oxetan-3-yl)pyrazol-4-yl]pyrimidine
CID 166750746
2-N-(4-aminocyclohexyl)-6-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]pyrimidine-2,4-diamine
CID 135301368
2-[(4-aminocyclohexyl)methyl]-4-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]-1H-pyrimidin-6-one
CID 157485217
2-(cyclopentylmethyl)pyrimidin-4-amine
CID 70097820

Frequently Asked Questions

What is the IUPAC name of 4-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]-2-[(4-piperidin-1-ylcyclohexyl)methyl]pyrimidine?
The IUPAC name of 4-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]-2-[(4-piperidin-1-ylcyclohexyl)methyl]pyrimidine (CID 140891274) is 4-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]-2-[(4-piperidin-1-ylcyclohexyl)methyl]pyrimidine.
What is the SMILES notation for 4-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]-2-[(4-piperidin-1-ylcyclohexyl)methyl]pyrimidine?
The canonical SMILES for 4-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]-2-[(4-piperidin-1-ylcyclohexyl)methyl]pyrimidine is Cn1ncc(-c2ccnc(CC3CCC(N4CCCCC4)CC3)n2)c1CC1CC1.
What is the InChIKey of 4-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]-2-[(4-piperidin-1-ylcyclohexyl)methyl]pyrimidine?
The InChIKey is SIPUMZYEVHDGNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H35N5/c1-28-23(15-18-5-6-18)21(17-26-28)22-11-12-25-24(27-22)16-19-7-9-20(10-8-19)29-13-3-2-4-14-29/h11-12,17-20H,2-10,13-16H2,1H3.
What are the key properties of 4-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]-2-[(4-piperidin-1-ylcyclohexyl)methyl]pyrimidine?
4-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]-2-[(4-piperidin-1-ylcyclohexyl)methyl]pyrimidine has a molecular weight of 393.58 g/mol, XLogP of 4.42, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]-2-[(4-piperidin-1-ylcyclohexyl)methyl]pyrimidine is sourced from PubChem (CID 140891274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).