2-N,4-N,5-trimethyl-4-N-(3-methylbutan-2-yl)pyrimidine-2,4-diamine

C12H22N4 — CID 80793725

IUPAC2-N,4-N,5-trimethyl-4-N-(3-methylbutan-2-yl)pyrimidine-2,4-diamine
SMILESCNc1ncc(C)c(N(C)C(C)C(C)C)n1
InChIInChI=1S/C12H22N4/c1-8(2)10(4)16(6)11-9(3)7-14-12(13-5)15-11/h7-8,10H,1-6H3,(H,13,14,15)
InChIKeyPVLFILUTPWHDEH-UHFFFAOYSA-N
MW222.34 g/mol
LogP2.31
Rot. Bonds4

About 2-N,4-N,5-trimethyl-4-N-(3-methylbutan-2-yl)pyrimidine-2,4-diamine

2-N,4-N,5-trimethyl-4-N-(3-methylbutan-2-yl)pyrimidine-2,4-diamine (PubChem CID 80793725) has the molecular formula C12H22N4 and a molecular weight of 222.34 g/mol. Its IUPAC name is 2-N,4-N,5-trimethyl-4-N-(3-methylbutan-2-yl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N,4-N,5-trimethyl-4-N-(3-methylbutan-2-yl)pyrimidine-2,4-diamine
PubChem CID80793725
Molecular FormulaC12H22N4
Molecular Weight222.34 g/mol
Exact Mass222.18
IUPAC Name2-N,4-N,5-trimethyl-4-N-(3-methylbutan-2-yl)pyrimidine-2,4-diamine
SMILESCNc1ncc(C)c(N(C)C(C)C(C)C)n1
InChIInChI=1S/C12H22N4/c1-8(2)10(4)16(6)11-9(3)7-14-12(13-5)15-11/h7-8,10H,1-6H3,(H,13,14,15)
InChIKeyPVLFILUTPWHDEH-UHFFFAOYSA-N
XLogP2.31
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.34
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-N,4-N,5-trimethyl-4-N-(1-methylsulfanylpropan-2-yl)pyrimidine-2,4-diamine
CID 112667942
2-N,4-N,5-trimethyl-4-N-(1-thiophen-2-ylpropan-2-yl)pyrimidine-2,4-diamine
CID 80849338
4-N-(3,5-dimethylphenyl)-2-N,4-N,5-trimethylpyrimidine-2,4-diamine
CID 80817728
2-[2-hydroxyethyl-[5-methyl-2-(methylamino)pyrimidin-4-yl]amino]ethanol
CID 80797115
2-N,5-dimethyl-4-N-(3-methylbutan-2-yl)pyrimidine-2,4-diamine
CID 80753695
4-N-[1-(dimethylamino)-3-methylbutan-2-yl]-2-N,5-dimethylpyrimidine-2,4-diamine
CID 80800370
4-N,4-N-bis(cyclopropylmethyl)-2-N,5-dimethylpyrimidine-2,4-diamine
CID 80836336
5-fluoro-4-N-methyl-4-N-(3-methylbutan-2-yl)-2-N-propylpyrimidine-2,4-diamine
CID 80792326
2-[[5-methyl-2-(methylamino)pyrimidin-4-yl]-pentan-3-ylamino]ethanol
CID 80811446
2-[ethyl-[5-methyl-2-(methylamino)pyrimidin-4-yl]amino]ethanol
CID 80790817
N,5-dimethyl-4-propan-2-yloxypyrimidin-2-amine
CID 80859947
2-N,4-N,5-trimethyl-4-N-(2-methyloxolan-3-yl)pyrimidine-2,4-diamine
CID 82744646

Frequently Asked Questions

What is the IUPAC name of 2-N,4-N,5-trimethyl-4-N-(3-methylbutan-2-yl)pyrimidine-2,4-diamine?
The IUPAC name of 2-N,4-N,5-trimethyl-4-N-(3-methylbutan-2-yl)pyrimidine-2,4-diamine (CID 80793725) is 2-N,4-N,5-trimethyl-4-N-(3-methylbutan-2-yl)pyrimidine-2,4-diamine.
What is the SMILES notation for 2-N,4-N,5-trimethyl-4-N-(3-methylbutan-2-yl)pyrimidine-2,4-diamine?
The canonical SMILES for 2-N,4-N,5-trimethyl-4-N-(3-methylbutan-2-yl)pyrimidine-2,4-diamine is CNc1ncc(C)c(N(C)C(C)C(C)C)n1.
What is the InChIKey of 2-N,4-N,5-trimethyl-4-N-(3-methylbutan-2-yl)pyrimidine-2,4-diamine?
The InChIKey is PVLFILUTPWHDEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4/c1-8(2)10(4)16(6)11-9(3)7-14-12(13-5)15-11/h7-8,10H,1-6H3,(H,13,14,15).
What are the key properties of 2-N,4-N,5-trimethyl-4-N-(3-methylbutan-2-yl)pyrimidine-2,4-diamine?
2-N,4-N,5-trimethyl-4-N-(3-methylbutan-2-yl)pyrimidine-2,4-diamine has a molecular weight of 222.34 g/mol, XLogP of 2.31, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,4-N,5-trimethyl-4-N-(3-methylbutan-2-yl)pyrimidine-2,4-diamine is sourced from PubChem (CID 80793725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).