4-N-(cyclopropylmethyl)-4-N,6-N,5-trimethyl-2-propan-2-ylpyrimidine-4,6-diamine

C14H24N4 — CID 80986468

IUPAC4-N-(cyclopropylmethyl)-4-N,6-N,5-trimethyl-2-propan-2-ylpyrimidine-4,6-diamine
SMILESCNc1nc(C(C)C)nc(N(C)CC2CC2)c1C
InChIInChI=1S/C14H24N4/c1-9(2)12-16-13(15-4)10(3)14(17-12)18(5)8-11-6-7-11/h9,11H,6-8H2,1-5H3,(H,15,16,17)
InChIKeyNOKBUPHGHFTVMI-UHFFFAOYSA-N
MW248.37 g/mol
LogP2.80
Rot. Bonds5

About 4-N-(cyclopropylmethyl)-4-N,6-N,5-trimethyl-2-propan-2-ylpyrimidine-4,6-diamine

4-N-(cyclopropylmethyl)-4-N,6-N,5-trimethyl-2-propan-2-ylpyrimidine-4,6-diamine (PubChem CID 80986468) has the molecular formula C14H24N4 and a molecular weight of 248.37 g/mol. Its IUPAC name is 4-N-(cyclopropylmethyl)-4-N,6-N,5-trimethyl-2-propan-2-ylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-(cyclopropylmethyl)-4-N,6-N,5-trimethyl-2-propan-2-ylpyrimidine-4,6-diamine
PubChem CID80986468
Molecular FormulaC14H24N4
Molecular Weight248.37 g/mol
Exact Mass248.20
IUPAC Name4-N-(cyclopropylmethyl)-4-N,6-N,5-trimethyl-2-propan-2-ylpyrimidine-4,6-diamine
SMILESCNc1nc(C(C)C)nc(N(C)CC2CC2)c1C
InChIInChI=1S/C14H24N4/c1-9(2)12-16-13(15-4)10(3)14(17-12)18(5)8-11-6-7-11/h9,11H,6-8H2,1-5H3,(H,15,16,17)
InChIKeyNOKBUPHGHFTVMI-UHFFFAOYSA-N
XLogP2.80
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-(cyclobutylmethyl)-4-N,6-N,5-trimethyl-2-propan-2-ylpyrimidine-4,6-diamine
CID 80983277
4-N-(cyclopropylmethyl)-4-N,6-N,2,5-tetramethylpyrimidine-4,6-diamine
CID 80798270
1-[methyl-[5-methyl-6-(methylamino)-2-propan-2-ylpyrimidin-4-yl]amino]propan-2-ol
CID 80982737
2-[methyl-[5-methyl-6-(methylamino)-2-propan-2-ylpyrimidin-4-yl]amino]ethanol
CID 80980902
3-[[(6-hydrazinyl-5-methyl-2-propan-2-ylpyrimidin-4-yl)-methylamino]methyl]cyclobutan-1-ol
CID 81005910
4-N,6-N,5-trimethyl-2-propan-2-yl-4-N-(2-pyrrolidin-1-ylethyl)pyrimidine-4,6-diamine
CID 80983504
4-N-(cyclohexylmethyl)-2-cyclopropyl-4-N,6-N,5-trimethylpyrimidine-4,6-diamine
CID 80986033
2-[methyl-[5-methyl-6-(methylamino)-2-propan-2-ylpyrimidin-4-yl]amino]-N-propan-2-ylacetamide
CID 80993955
4-N,5-dimethyl-4-N-[(2-methylcyclopropyl)methyl]-2-propan-2-yl-6-N-propylpyrimidine-4,6-diamine
CID 80985609
4-N-(cyclohexylmethyl)-4-N,6-N,5-trimethyl-2-propylpyrimidine-4,6-diamine
CID 80987928
4-N-(1-methoxypropan-2-yl)-4-N,6-N,5-trimethyl-2-propan-2-ylpyrimidine-4,6-diamine
CID 80986345
3-[cyclobutyl-[5-methyl-6-(methylamino)-2-propan-2-ylpyrimidin-4-yl]amino]propan-1-ol
CID 102875528

Frequently Asked Questions

What is the IUPAC name of 4-N-(cyclopropylmethyl)-4-N,6-N,5-trimethyl-2-propan-2-ylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-(cyclopropylmethyl)-4-N,6-N,5-trimethyl-2-propan-2-ylpyrimidine-4,6-diamine (CID 80986468) is 4-N-(cyclopropylmethyl)-4-N,6-N,5-trimethyl-2-propan-2-ylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-(cyclopropylmethyl)-4-N,6-N,5-trimethyl-2-propan-2-ylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-(cyclopropylmethyl)-4-N,6-N,5-trimethyl-2-propan-2-ylpyrimidine-4,6-diamine is CNc1nc(C(C)C)nc(N(C)CC2CC2)c1C.
What is the InChIKey of 4-N-(cyclopropylmethyl)-4-N,6-N,5-trimethyl-2-propan-2-ylpyrimidine-4,6-diamine?
The InChIKey is NOKBUPHGHFTVMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4/c1-9(2)12-16-13(15-4)10(3)14(17-12)18(5)8-11-6-7-11/h9,11H,6-8H2,1-5H3,(H,15,16,17).
What are the key properties of 4-N-(cyclopropylmethyl)-4-N,6-N,5-trimethyl-2-propan-2-ylpyrimidine-4,6-diamine?
4-N-(cyclopropylmethyl)-4-N,6-N,5-trimethyl-2-propan-2-ylpyrimidine-4,6-diamine has a molecular weight of 248.37 g/mol, XLogP of 2.80, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(cyclopropylmethyl)-4-N,6-N,5-trimethyl-2-propan-2-ylpyrimidine-4,6-diamine is sourced from PubChem (CID 80986468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).