4-N,6-N,2-trimethyl-4-N-pentan-2-ylpyrimidine-4,6-diamine

C12H22N4 — CID 80793867

IUPAC4-N,6-N,2-trimethyl-4-N-pentan-2-ylpyrimidine-4,6-diamine
SMILESCCCC(C)N(C)c1cc(NC)nc(C)n1
InChIInChI=1S/C12H22N4/c1-6-7-9(2)16(5)12-8-11(13-4)14-10(3)15-12/h8-9H,6-7H2,1-5H3,(H,13,14,15)
InChIKeyKPOMZQYGFCJMRV-UHFFFAOYSA-N
MW222.34 g/mol
LogP2.45
Rot. Bonds5

About 4-N,6-N,2-trimethyl-4-N-pentan-2-ylpyrimidine-4,6-diamine

4-N,6-N,2-trimethyl-4-N-pentan-2-ylpyrimidine-4,6-diamine (PubChem CID 80793867) has the molecular formula C12H22N4 and a molecular weight of 222.34 g/mol. Its IUPAC name is 4-N,6-N,2-trimethyl-4-N-pentan-2-ylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N,6-N,2-trimethyl-4-N-pentan-2-ylpyrimidine-4,6-diamine
PubChem CID80793867
Molecular FormulaC12H22N4
Molecular Weight222.34 g/mol
Exact Mass222.18
IUPAC Name4-N,6-N,2-trimethyl-4-N-pentan-2-ylpyrimidine-4,6-diamine
SMILESCCCC(C)N(C)c1cc(NC)nc(C)n1
InChIInChI=1S/C12H22N4/c1-6-7-9(2)16(5)12-8-11(13-4)14-10(3)15-12/h8-9H,6-7H2,1-5H3,(H,13,14,15)
InChIKeyKPOMZQYGFCJMRV-UHFFFAOYSA-N
XLogP2.45
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.34
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-N,2-dimethyl-4-N-propan-2-yl-4-N-propylpyrimidine-4,6-diamine
CID 80774664
4-N-butan-2-yl-2-ethyl-4-N,6-N-dimethylpyrimidine-4,6-diamine
CID 80934109
4-N-(1-cyclopropylethyl)-4-N,2-dimethyl-6-N-propylpyrimidine-4,6-diamine
CID 80793618
2-methyl-3-[methyl-[2-methyl-6-(methylamino)pyrimidin-4-yl]amino]propanenitrile
CID 80811197
6-hydrazinyl-N-(1-methoxypropan-2-yl)-N,2-dimethylpyrimidin-4-amine
CID 80895894
4-N-cyclopentyl-4-N,6-N,2-trimethylpyrimidine-4,6-diamine
CID 80774637
4-N-(4-ethylphenyl)-4-N,6-N,2-trimethylpyrimidine-4,6-diamine
CID 80816371
4-N-(cyclopropylmethyl)-6-N,2-dimethyl-4-N-propan-2-ylpyrimidine-4,6-diamine
CID 80821545
4-N,2-dimethyl-6-N-[2-methyl-2-(methylamino)propyl]-4-N-propan-2-ylpyrimidine-4,6-diamine
CID 115266600
4-N,6-N-dimethyl-4-N-pentan-3-yl-2-propan-2-ylpyrimidine-4,6-diamine
CID 80967077
N,2,6-trimethyl-N-[(2S)-4-methylsulfanylbutan-2-yl]pyrimidin-4-amine
CID 97325462
2-[ethyl-[2-methyl-6-(methylamino)pyrimidin-4-yl]amino]ethanol
CID 80791441

Frequently Asked Questions

What is the IUPAC name of 4-N,6-N,2-trimethyl-4-N-pentan-2-ylpyrimidine-4,6-diamine?
The IUPAC name of 4-N,6-N,2-trimethyl-4-N-pentan-2-ylpyrimidine-4,6-diamine (CID 80793867) is 4-N,6-N,2-trimethyl-4-N-pentan-2-ylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N,6-N,2-trimethyl-4-N-pentan-2-ylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N,6-N,2-trimethyl-4-N-pentan-2-ylpyrimidine-4,6-diamine is CCCC(C)N(C)c1cc(NC)nc(C)n1.
What is the InChIKey of 4-N,6-N,2-trimethyl-4-N-pentan-2-ylpyrimidine-4,6-diamine?
The InChIKey is KPOMZQYGFCJMRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4/c1-6-7-9(2)16(5)12-8-11(13-4)14-10(3)15-12/h8-9H,6-7H2,1-5H3,(H,13,14,15).
What are the key properties of 4-N,6-N,2-trimethyl-4-N-pentan-2-ylpyrimidine-4,6-diamine?
4-N,6-N,2-trimethyl-4-N-pentan-2-ylpyrimidine-4,6-diamine has a molecular weight of 222.34 g/mol, XLogP of 2.45, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N,6-N,2-trimethyl-4-N-pentan-2-ylpyrimidine-4,6-diamine is sourced from PubChem (CID 80793867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).