2-[(4-aminocyclohexyl)methyl]-4-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]-1H-pyrimidin-6-one

C19H27N5O — CID 157485217

IUPAC2-[(4-aminocyclohexyl)methyl]-4-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]-1H-pyrimidin-6-one
SMILESCn1ncc(-c2cc(=O)[nH]c(CC3CCC(N)CC3)n2)c1CC1CC1
InChIInChI=1S/C19H27N5O/c1-24-17(8-12-2-3-12)15(11-21-24)16-10-19(25)23-18(22-16)9-13-4-6-14(20)7-5-13/h10-14H,2-9,20H2,1H3,(H,22,23,25)
InChIKeyWLFKWQDKTDDZLJ-UHFFFAOYSA-N
MW341.46 g/mol
LogP2.18
Rot. Bonds5

About 2-[(4-aminocyclohexyl)methyl]-4-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]-1H-pyrimidin-6-one

2-[(4-aminocyclohexyl)methyl]-4-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]-1H-pyrimidin-6-one (PubChem CID 157485217) has the molecular formula C19H27N5O and a molecular weight of 341.46 g/mol. Its IUPAC name is 2-[(4-aminocyclohexyl)methyl]-4-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-[(4-aminocyclohexyl)methyl]-4-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]-1H-pyrimidin-6-one
PubChem CID157485217
Molecular FormulaC19H27N5O
Molecular Weight341.46 g/mol
Exact Mass341.22
IUPAC Name2-[(4-aminocyclohexyl)methyl]-4-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]-1H-pyrimidin-6-one
SMILESCn1ncc(-c2cc(=O)[nH]c(CC3CCC(N)CC3)n2)c1CC1CC1
InChIInChI=1S/C19H27N5O/c1-24-17(8-12-2-3-12)15(11-21-24)16-10-19(25)23-18(22-16)9-13-4-6-14(20)7-5-13/h10-14H,2-9,20H2,1H3,(H,22,23,25)
InChIKeyWLFKWQDKTDDZLJ-UHFFFAOYSA-N
XLogP2.18
TPSA89.59 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.46
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-aminocyclohexyl)methyl]-4-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]-1H-pyrimidin-6-one?
The IUPAC name of 2-[(4-aminocyclohexyl)methyl]-4-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]-1H-pyrimidin-6-one (CID 157485217) is 2-[(4-aminocyclohexyl)methyl]-4-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]-1H-pyrimidin-6-one.
What is the SMILES notation for 2-[(4-aminocyclohexyl)methyl]-4-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]-1H-pyrimidin-6-one?
The canonical SMILES for 2-[(4-aminocyclohexyl)methyl]-4-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]-1H-pyrimidin-6-one is Cn1ncc(-c2cc(=O)[nH]c(CC3CCC(N)CC3)n2)c1CC1CC1.
What is the InChIKey of 2-[(4-aminocyclohexyl)methyl]-4-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]-1H-pyrimidin-6-one?
The InChIKey is WLFKWQDKTDDZLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N5O/c1-24-17(8-12-2-3-12)15(11-21-24)16-10-19(25)23-18(22-16)9-13-4-6-14(20)7-5-13/h10-14H,2-9,20H2,1H3,(H,22,23,25).
What are the key properties of 2-[(4-aminocyclohexyl)methyl]-4-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]-1H-pyrimidin-6-one?
2-[(4-aminocyclohexyl)methyl]-4-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]-1H-pyrimidin-6-one has a molecular weight of 341.46 g/mol, XLogP of 2.18, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-aminocyclohexyl)methyl]-4-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]-1H-pyrimidin-6-one is sourced from PubChem (CID 157485217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).