4-N-butyl-6-methyl-5-(3-pyrazol-1-ylpropyl)pyrimidine-2,4-diamine

C15H24N6 — CID 135260428

IUPAC4-N-butyl-6-methyl-5-(3-pyrazol-1-ylpropyl)pyrimidine-2,4-diamine
SMILESCCCCNc1nc(N)nc(C)c1CCCn1cccn1
InChIInChI=1S/C15H24N6/c1-3-4-8-17-14-13(12(2)19-15(16)20-14)7-5-10-21-11-6-9-18-21/h6,9,11H,3-5,7-8,10H2,1-2H3,(H3,16,17,19,20)
InChIKeyGATWXZTYYMDZFK-UHFFFAOYSA-N
MW288.40 g/mol
LogP2.41
Rot. Bonds8

About 4-N-butyl-6-methyl-5-(3-pyrazol-1-ylpropyl)pyrimidine-2,4-diamine

4-N-butyl-6-methyl-5-(3-pyrazol-1-ylpropyl)pyrimidine-2,4-diamine (PubChem CID 135260428) has the molecular formula C15H24N6 and a molecular weight of 288.40 g/mol. Its IUPAC name is 4-N-butyl-6-methyl-5-(3-pyrazol-1-ylpropyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-butyl-6-methyl-5-(3-pyrazol-1-ylpropyl)pyrimidine-2,4-diamine
PubChem CID135260428
Molecular FormulaC15H24N6
Molecular Weight288.40 g/mol
Exact Mass288.21
IUPAC Name4-N-butyl-6-methyl-5-(3-pyrazol-1-ylpropyl)pyrimidine-2,4-diamine
SMILESCCCCNc1nc(N)nc(C)c1CCCn1cccn1
InChIInChI=1S/C15H24N6/c1-3-4-8-17-14-13(12(2)19-15(16)20-14)7-5-10-21-11-6-9-18-21/h6,9,11H,3-5,7-8,10H2,1-2H3,(H3,16,17,19,20)
InChIKeyGATWXZTYYMDZFK-UHFFFAOYSA-N
XLogP2.41
TPSA81.65 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.40
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

Istisociclib
CID 146502834
2-[5-[[4-(Ethylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]-1-methylpyrazol-3-yl]-2-methylpropanenitrile
CID 72191820
N~2~-[(Trans-4-Aminocyclohexyl)methyl]-N~4~-(3-Cyclopropyl-1h-Pyrazol-5-Yl)pyrimidine-2,4-Diamine
CID 91809513
5-(Piperidin-3-yl)-3-(prop-1-enyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 16046077
5-(Piperidin-3-yl)-3-(prop-1-ynyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 16224560
4-(4-Methylpiperazin-1-yl)-6-(1-methylpyrazol-4-yl)pyrimidin-2-amine
CID 25131560
Cyclopentyl-[4-(3-methyl-1H-pyrazol-4-yl)-pyrimidin-2-yl]-amine
CID 49839966
Cyclohexyl-[4-(3-methyl-1H-pyrazol-4-yl)-pyrimidin-2-yl]-amine
CID 49839967
8-Pyrrolidin-1-yl-2,6,7,12-tetrazatricyclo[7.5.0.03,7]tetradeca-1,3,5,8-tetraene
CID 53321947
8-Piperidin-1-yl-2,6,7,12-tetrazatricyclo[7.5.0.03,7]tetradeca-1,3,5,8-tetraene
CID 53324629
10-Azetidin-1-yl-6,7,8,9-tetrahydro-5H-1,4,7,10a-tetraaza-cyclohepta[f]indene
CID 53325935
5-bromo-4-N-(5-methyl-1H-pyrazol-3-yl)-2-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]pyrimidine-2,4-diamine
CID 60154332

Frequently Asked Questions

What is the IUPAC name of 4-N-butyl-6-methyl-5-(3-pyrazol-1-ylpropyl)pyrimidine-2,4-diamine?
The IUPAC name of 4-N-butyl-6-methyl-5-(3-pyrazol-1-ylpropyl)pyrimidine-2,4-diamine (CID 135260428) is 4-N-butyl-6-methyl-5-(3-pyrazol-1-ylpropyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-butyl-6-methyl-5-(3-pyrazol-1-ylpropyl)pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-butyl-6-methyl-5-(3-pyrazol-1-ylpropyl)pyrimidine-2,4-diamine is CCCCNc1nc(N)nc(C)c1CCCn1cccn1.
What is the InChIKey of 4-N-butyl-6-methyl-5-(3-pyrazol-1-ylpropyl)pyrimidine-2,4-diamine?
The InChIKey is GATWXZTYYMDZFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N6/c1-3-4-8-17-14-13(12(2)19-15(16)20-14)7-5-10-21-11-6-9-18-21/h6,9,11H,3-5,7-8,10H2,1-2H3,(H3,16,17,19,20).
What are the key properties of 4-N-butyl-6-methyl-5-(3-pyrazol-1-ylpropyl)pyrimidine-2,4-diamine?
4-N-butyl-6-methyl-5-(3-pyrazol-1-ylpropyl)pyrimidine-2,4-diamine has a molecular weight of 288.40 g/mol, XLogP of 2.41, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-butyl-6-methyl-5-(3-pyrazol-1-ylpropyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 135260428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).