N-[(4-aminopyrimidin-5-yl)methyl]-1-cyclohexyl-5-methylpyrazole-4-carboxamide

C16H22N6O — CID 139001207

IUPACN-[(4-aminopyrimidin-5-yl)methyl]-1-cyclohexyl-5-methylpyrazole-4-carboxamide
SMILESCc1c(C(=O)NCc2cncnc2N)cnn1C1CCCCC1
InChIInChI=1S/C16H22N6O/c1-11-14(9-21-22(11)13-5-3-2-4-6-13)16(23)19-8-12-7-18-10-20-15(12)17/h7,9-10,13H,2-6,8H2,1H3,(H,19,23)(H2,17,18,20)
InChIKeyRPXGRMZAYOZQQJ-UHFFFAOYSA-N
MW314.39 g/mol
LogP2.00
Rot. Bonds4

About N-[(4-aminopyrimidin-5-yl)methyl]-1-cyclohexyl-5-methylpyrazole-4-carboxamide

N-[(4-aminopyrimidin-5-yl)methyl]-1-cyclohexyl-5-methylpyrazole-4-carboxamide (PubChem CID 139001207) has the molecular formula C16H22N6O and a molecular weight of 314.39 g/mol. Its IUPAC name is N-[(4-aminopyrimidin-5-yl)methyl]-1-cyclohexyl-5-methylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[(4-aminopyrimidin-5-yl)methyl]-1-cyclohexyl-5-methylpyrazole-4-carboxamide
PubChem CID139001207
Molecular FormulaC16H22N6O
Molecular Weight314.39 g/mol
Exact Mass314.19
IUPAC NameN-[(4-aminopyrimidin-5-yl)methyl]-1-cyclohexyl-5-methylpyrazole-4-carboxamide
SMILESCc1c(C(=O)NCc2cncnc2N)cnn1C1CCCCC1
InChIInChI=1S/C16H22N6O/c1-11-14(9-21-22(11)13-5-3-2-4-6-13)16(23)19-8-12-7-18-10-20-15(12)17/h7,9-10,13H,2-6,8H2,1H3,(H,19,23)(H2,17,18,20)
InChIKeyRPXGRMZAYOZQQJ-UHFFFAOYSA-N
XLogP2.00
TPSA98.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(4-aminopyrimidin-5-yl)methyl]-1-cyclohexyl-5-methylpyrazole-4-carboxamide?
The IUPAC name of N-[(4-aminopyrimidin-5-yl)methyl]-1-cyclohexyl-5-methylpyrazole-4-carboxamide (CID 139001207) is N-[(4-aminopyrimidin-5-yl)methyl]-1-cyclohexyl-5-methylpyrazole-4-carboxamide.
What is the SMILES notation for N-[(4-aminopyrimidin-5-yl)methyl]-1-cyclohexyl-5-methylpyrazole-4-carboxamide?
The canonical SMILES for N-[(4-aminopyrimidin-5-yl)methyl]-1-cyclohexyl-5-methylpyrazole-4-carboxamide is Cc1c(C(=O)NCc2cncnc2N)cnn1C1CCCCC1.
What is the InChIKey of N-[(4-aminopyrimidin-5-yl)methyl]-1-cyclohexyl-5-methylpyrazole-4-carboxamide?
The InChIKey is RPXGRMZAYOZQQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N6O/c1-11-14(9-21-22(11)13-5-3-2-4-6-13)16(23)19-8-12-7-18-10-20-15(12)17/h7,9-10,13H,2-6,8H2,1H3,(H,19,23)(H2,17,18,20).
What are the key properties of N-[(4-aminopyrimidin-5-yl)methyl]-1-cyclohexyl-5-methylpyrazole-4-carboxamide?
N-[(4-aminopyrimidin-5-yl)methyl]-1-cyclohexyl-5-methylpyrazole-4-carboxamide has a molecular weight of 314.39 g/mol, XLogP of 2.00, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-aminopyrimidin-5-yl)methyl]-1-cyclohexyl-5-methylpyrazole-4-carboxamide is sourced from PubChem (CID 139001207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).