2-tert-butyl-4-N-(1-methylpyrazol-3-yl)-6-N-propylpyrimidine-4,6-diamine

C15H24N6 — CID 80959824

IUPAC2-tert-butyl-4-N-(1-methylpyrazol-3-yl)-6-N-propylpyrimidine-4,6-diamine
SMILESCCCNc1cc(Nc2ccn(C)n2)nc(C(C)(C)C)n1
InChIInChI=1S/C15H24N6/c1-6-8-16-12-10-13(17-11-7-9-21(5)20-11)19-14(18-12)15(2,3)4/h7,9-10H,6,8H2,1-5H3,(H2,16,17,18,19,20)
InChIKeyYJZYUWKQFIRYCE-UHFFFAOYSA-N
MW288.40 g/mol
LogP3.07
Rot. Bonds5

About 2-tert-butyl-4-N-(1-methylpyrazol-3-yl)-6-N-propylpyrimidine-4,6-diamine

2-tert-butyl-4-N-(1-methylpyrazol-3-yl)-6-N-propylpyrimidine-4,6-diamine (PubChem CID 80959824) has the molecular formula C15H24N6 and a molecular weight of 288.40 g/mol. Its IUPAC name is 2-tert-butyl-4-N-(1-methylpyrazol-3-yl)-6-N-propylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name2-tert-butyl-4-N-(1-methylpyrazol-3-yl)-6-N-propylpyrimidine-4,6-diamine
PubChem CID80959824
Molecular FormulaC15H24N6
Molecular Weight288.40 g/mol
Exact Mass288.21
IUPAC Name2-tert-butyl-4-N-(1-methylpyrazol-3-yl)-6-N-propylpyrimidine-4,6-diamine
SMILESCCCNc1cc(Nc2ccn(C)n2)nc(C(C)(C)C)n1
InChIInChI=1S/C15H24N6/c1-6-8-16-12-10-13(17-11-7-9-21(5)20-11)19-14(18-12)15(2,3)4/h7,9-10H,6,8H2,1-5H3,(H2,16,17,18,19,20)
InChIKeyYJZYUWKQFIRYCE-UHFFFAOYSA-N
XLogP3.07
TPSA67.66 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.40
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-methyl-4-N-(1-methylpyrazol-3-yl)-6-N-propylpyrimidine-4,6-diamine
CID 80849853
6-N-ethyl-4-N-(1-methylpyrazol-3-yl)-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106772484
2-N-ethyl-6-N-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)pyridine-2,6-diamine
CID 102718897
2-tert-butyl-4-N-(3-methylpentan-3-yl)-6-N-propylpyrimidine-4,6-diamine
CID 106332144
2-tert-butyl-4-N-propan-2-yl-6-N-propylpyrimidine-4,6-diamine
CID 80955764
2-tert-butyl-4-N-propylpyrimidine-4,6-diamine
CID 80957078
2-tert-butyl-6-hydrazinyl-N-[(1-methylpyrazol-3-yl)methyl]pyrimidin-4-amine
CID 82874800
2-tert-butyl-6-(1-methylpyrazol-4-yl)-N-propylpyrimidin-4-amine
CID 80953067
4-N-butan-2-yl-2-tert-butyl-6-N-propylpyrimidine-4,6-diamine
CID 80956340
2-N-(1-methylpyrazol-3-yl)-3-nitro-6-N-propylpyridine-2,6-diamine
CID 80849234
2-tert-butyl-4-N-pentan-2-yl-6-N-propylpyrimidine-4,6-diamine
CID 80955654
2-tert-butyl-6-(furan-2-yl)-N-propylpyrimidin-4-amine
CID 80952417

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-4-N-(1-methylpyrazol-3-yl)-6-N-propylpyrimidine-4,6-diamine?
The IUPAC name of 2-tert-butyl-4-N-(1-methylpyrazol-3-yl)-6-N-propylpyrimidine-4,6-diamine (CID 80959824) is 2-tert-butyl-4-N-(1-methylpyrazol-3-yl)-6-N-propylpyrimidine-4,6-diamine.
What is the SMILES notation for 2-tert-butyl-4-N-(1-methylpyrazol-3-yl)-6-N-propylpyrimidine-4,6-diamine?
The canonical SMILES for 2-tert-butyl-4-N-(1-methylpyrazol-3-yl)-6-N-propylpyrimidine-4,6-diamine is CCCNc1cc(Nc2ccn(C)n2)nc(C(C)(C)C)n1.
What is the InChIKey of 2-tert-butyl-4-N-(1-methylpyrazol-3-yl)-6-N-propylpyrimidine-4,6-diamine?
The InChIKey is YJZYUWKQFIRYCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N6/c1-6-8-16-12-10-13(17-11-7-9-21(5)20-11)19-14(18-12)15(2,3)4/h7,9-10H,6,8H2,1-5H3,(H2,16,17,18,19,20).
What are the key properties of 2-tert-butyl-4-N-(1-methylpyrazol-3-yl)-6-N-propylpyrimidine-4,6-diamine?
2-tert-butyl-4-N-(1-methylpyrazol-3-yl)-6-N-propylpyrimidine-4,6-diamine has a molecular weight of 288.40 g/mol, XLogP of 3.07, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-4-N-(1-methylpyrazol-3-yl)-6-N-propylpyrimidine-4,6-diamine is sourced from PubChem (CID 80959824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).