4-(5-hydroxypentylamino)-2-[(1-methylpyrazol-4-yl)amino]pyrimidine-5-carboxamide

C14H21N7O2 — CID 138495182

IUPAC4-(5-hydroxypentylamino)-2-[(1-methylpyrazol-4-yl)amino]pyrimidine-5-carboxamide
SMILESCn1cc(Nc2ncc(C(N)=O)c(NCCCCCO)n2)cn1
InChIInChI=1S/C14H21N7O2/c1-21-9-10(7-18-21)19-14-17-8-11(12(15)23)13(20-14)16-5-3-2-4-6-22/h7-9,22H,2-6H2,1H3,(H2,15,23)(H2,16,17,19,20)
InChIKeyURRQGUVIGFDQCM-UHFFFAOYSA-N
MW319.37 g/mol
LogP0.63
Rot. Bonds9

About 4-(5-hydroxypentylamino)-2-[(1-methylpyrazol-4-yl)amino]pyrimidine-5-carboxamide

4-(5-hydroxypentylamino)-2-[(1-methylpyrazol-4-yl)amino]pyrimidine-5-carboxamide (PubChem CID 138495182) has the molecular formula C14H21N7O2 and a molecular weight of 319.37 g/mol. Its IUPAC name is 4-(5-hydroxypentylamino)-2-[(1-methylpyrazol-4-yl)amino]pyrimidine-5-carboxamide.

Molecular Properties

Compound Name4-(5-hydroxypentylamino)-2-[(1-methylpyrazol-4-yl)amino]pyrimidine-5-carboxamide
PubChem CID138495182
Molecular FormulaC14H21N7O2
Molecular Weight319.37 g/mol
Exact Mass319.18
IUPAC Name4-(5-hydroxypentylamino)-2-[(1-methylpyrazol-4-yl)amino]pyrimidine-5-carboxamide
SMILESCn1cc(Nc2ncc(C(N)=O)c(NCCCCCO)n2)cn1
InChIInChI=1S/C14H21N7O2/c1-21-9-10(7-18-21)19-14-17-8-11(12(15)23)13(20-14)16-5-3-2-4-6-22/h7-9,22H,2-6H2,1H3,(H2,15,23)(H2,16,17,19,20)
InChIKeyURRQGUVIGFDQCM-UHFFFAOYSA-N
XLogP0.63
TPSA130.98 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.37
LogP ≤ 50.63
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

US11344549, Example 233
CID 148869096
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CID 149003214
US11344549, Example 18
CID 165112231
US11344549, Example 19
CID 165112232
US11344549, Example 29
CID 165112242
US11344549, Example 30
CID 165112243
US9579320, Example 189
CID 57471978
US11344549, Example 244
CID 138495176
US11344549, Example 230
CID 138495187
US11344549, Example 11
CID 138495211
US11344549, Example 12
CID 138495212
US11344549, Example 10
CID 138495215

Frequently Asked Questions

What is the IUPAC name of 4-(5-hydroxypentylamino)-2-[(1-methylpyrazol-4-yl)amino]pyrimidine-5-carboxamide?
The IUPAC name of 4-(5-hydroxypentylamino)-2-[(1-methylpyrazol-4-yl)amino]pyrimidine-5-carboxamide (CID 138495182) is 4-(5-hydroxypentylamino)-2-[(1-methylpyrazol-4-yl)amino]pyrimidine-5-carboxamide.
What is the SMILES notation for 4-(5-hydroxypentylamino)-2-[(1-methylpyrazol-4-yl)amino]pyrimidine-5-carboxamide?
The canonical SMILES for 4-(5-hydroxypentylamino)-2-[(1-methylpyrazol-4-yl)amino]pyrimidine-5-carboxamide is Cn1cc(Nc2ncc(C(N)=O)c(NCCCCCO)n2)cn1.
What is the InChIKey of 4-(5-hydroxypentylamino)-2-[(1-methylpyrazol-4-yl)amino]pyrimidine-5-carboxamide?
The InChIKey is URRQGUVIGFDQCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N7O2/c1-21-9-10(7-18-21)19-14-17-8-11(12(15)23)13(20-14)16-5-3-2-4-6-22/h7-9,22H,2-6H2,1H3,(H2,15,23)(H2,16,17,19,20).
What are the key properties of 4-(5-hydroxypentylamino)-2-[(1-methylpyrazol-4-yl)amino]pyrimidine-5-carboxamide?
4-(5-hydroxypentylamino)-2-[(1-methylpyrazol-4-yl)amino]pyrimidine-5-carboxamide has a molecular weight of 319.37 g/mol, XLogP of 0.63, 9 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-hydroxypentylamino)-2-[(1-methylpyrazol-4-yl)amino]pyrimidine-5-carboxamide is sourced from PubChem (CID 138495182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).