4-(cyclohexylmethylamino)-2-[(1-ethylpyrazol-4-yl)amino]pyrimidine-5-carboxamide

C17H25N7O — CID 165112243

IUPAC4-(cyclohexylmethylamino)-2-[(1-ethylpyrazol-4-yl)amino]pyrimidine-5-carboxamide
SMILESCCn1cc(Nc2ncc(C(N)=O)c(NCC3CCCCC3)n2)cn1
InChIInChI=1S/C17H25N7O/c1-2-24-11-13(9-21-24)22-17-20-10-14(15(18)25)16(23-17)19-8-12-6-4-3-5-7-12/h9-12H,2-8H2,1H3,(H2,18,25)(H2,19,20,22,23)
InChIKeyTUNYAONDRGQTKW-UHFFFAOYSA-N
MW343.44 g/mol
LogP2.53
Rot. Bonds7

About 4-(cyclohexylmethylamino)-2-[(1-ethylpyrazol-4-yl)amino]pyrimidine-5-carboxamide

4-(cyclohexylmethylamino)-2-[(1-ethylpyrazol-4-yl)amino]pyrimidine-5-carboxamide (PubChem CID 165112243) has the molecular formula C17H25N7O and a molecular weight of 343.44 g/mol. Its IUPAC name is 4-(cyclohexylmethylamino)-2-[(1-ethylpyrazol-4-yl)amino]pyrimidine-5-carboxamide.

Molecular Properties

Compound Name4-(cyclohexylmethylamino)-2-[(1-ethylpyrazol-4-yl)amino]pyrimidine-5-carboxamide
PubChem CID165112243
Molecular FormulaC17H25N7O
Molecular Weight343.44 g/mol
Exact Mass343.21
IUPAC Name4-(cyclohexylmethylamino)-2-[(1-ethylpyrazol-4-yl)amino]pyrimidine-5-carboxamide
SMILESCCn1cc(Nc2ncc(C(N)=O)c(NCC3CCCCC3)n2)cn1
InChIInChI=1S/C17H25N7O/c1-2-24-11-13(9-21-24)22-17-20-10-14(15(18)25)16(23-17)19-8-12-6-4-3-5-7-12/h9-12H,2-8H2,1H3,(H2,18,25)(H2,19,20,22,23)
InChIKeyTUNYAONDRGQTKW-UHFFFAOYSA-N
XLogP2.53
TPSA110.75 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.44
LogP ≤ 52.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-(cyclohexylmethylamino)-2-[(1-ethylpyrazol-4-yl)amino]pyrimidine-5-carboxamide?
The IUPAC name of 4-(cyclohexylmethylamino)-2-[(1-ethylpyrazol-4-yl)amino]pyrimidine-5-carboxamide (CID 165112243) is 4-(cyclohexylmethylamino)-2-[(1-ethylpyrazol-4-yl)amino]pyrimidine-5-carboxamide.
What is the SMILES notation for 4-(cyclohexylmethylamino)-2-[(1-ethylpyrazol-4-yl)amino]pyrimidine-5-carboxamide?
The canonical SMILES for 4-(cyclohexylmethylamino)-2-[(1-ethylpyrazol-4-yl)amino]pyrimidine-5-carboxamide is CCn1cc(Nc2ncc(C(N)=O)c(NCC3CCCCC3)n2)cn1.
What is the InChIKey of 4-(cyclohexylmethylamino)-2-[(1-ethylpyrazol-4-yl)amino]pyrimidine-5-carboxamide?
The InChIKey is TUNYAONDRGQTKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N7O/c1-2-24-11-13(9-21-24)22-17-20-10-14(15(18)25)16(23-17)19-8-12-6-4-3-5-7-12/h9-12H,2-8H2,1H3,(H2,18,25)(H2,19,20,22,23).
What are the key properties of 4-(cyclohexylmethylamino)-2-[(1-ethylpyrazol-4-yl)amino]pyrimidine-5-carboxamide?
4-(cyclohexylmethylamino)-2-[(1-ethylpyrazol-4-yl)amino]pyrimidine-5-carboxamide has a molecular weight of 343.44 g/mol, XLogP of 2.53, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclohexylmethylamino)-2-[(1-ethylpyrazol-4-yl)amino]pyrimidine-5-carboxamide is sourced from PubChem (CID 165112243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).