6-N,2-diethyl-4-N-methyl-4-N-(3-methylbutan-2-yl)pyrimidine-4,6-diamine

C14H26N4 — CID 80933374

IUPAC6-N,2-diethyl-4-N-methyl-4-N-(3-methylbutan-2-yl)pyrimidine-4,6-diamine
SMILESCCNc1cc(N(C)C(C)C(C)C)nc(CC)n1
InChIInChI=1S/C14H26N4/c1-7-12-16-13(15-8-2)9-14(17-12)18(6)11(5)10(3)4/h9-11H,7-8H2,1-6H3,(H,15,16,17)
InChIKeyZSPPSGGVQGORLH-UHFFFAOYSA-N
MW250.39 g/mol
LogP2.95
Rot. Bonds6

About 6-N,2-diethyl-4-N-methyl-4-N-(3-methylbutan-2-yl)pyrimidine-4,6-diamine

6-N,2-diethyl-4-N-methyl-4-N-(3-methylbutan-2-yl)pyrimidine-4,6-diamine (PubChem CID 80933374) has the molecular formula C14H26N4 and a molecular weight of 250.39 g/mol. Its IUPAC name is 6-N,2-diethyl-4-N-methyl-4-N-(3-methylbutan-2-yl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name6-N,2-diethyl-4-N-methyl-4-N-(3-methylbutan-2-yl)pyrimidine-4,6-diamine
PubChem CID80933374
Molecular FormulaC14H26N4
Molecular Weight250.39 g/mol
Exact Mass250.22
IUPAC Name6-N,2-diethyl-4-N-methyl-4-N-(3-methylbutan-2-yl)pyrimidine-4,6-diamine
SMILESCCNc1cc(N(C)C(C)C(C)C)nc(CC)n1
InChIInChI=1S/C14H26N4/c1-7-12-16-13(15-8-2)9-14(17-12)18(6)11(5)10(3)4/h9-11H,7-8H2,1-6H3,(H,15,16,17)
InChIKeyZSPPSGGVQGORLH-UHFFFAOYSA-N
XLogP2.95
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 6-N,2-diethyl-4-N-methyl-4-N-(3-methylbutan-2-yl)pyrimidine-4,6-diamine with MolForge

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Launch Full Analysis

Related Compounds

6-N-ethyl-4-N-methyl-4-N-(3-methylbutan-2-yl)-2-propan-2-ylpyrimidine-4,6-diamine
CID 80967785
2-ethyl-4-N-methyl-4-N-(3-methylbutan-2-yl)pyrimidine-4,6-diamine
CID 80933289
2-ethyl-4-N-methyl-4-N-propan-2-yl-6-N-propylpyrimidine-4,6-diamine
CID 80933924
4-N-butan-2-yl-2-ethyl-4-N,6-N-dimethylpyrimidine-4,6-diamine
CID 80934109
4-N-(3,5-dimethylphenyl)-6-N,2-diethyl-4-N-methylpyrimidine-4,6-diamine
CID 80940477
4-N-butan-2-yl-4-N-butyl-6-N,2-diethylpyrimidine-4,6-diamine
CID 80934873
6-N,2-diethyl-4-N-(3-methylbutan-2-yl)pyrimidine-4,6-diamine
CID 80933317
2-(methoxymethyl)-4-N,6-N-dimethyl-4-N-(3-methylbutan-2-yl)pyrimidine-4,6-diamine
CID 113401382
6-N,2-diethyl-4-N-methyl-4-N-(3,3,3-trifluoropropyl)pyrimidine-4,6-diamine
CID 80942506
6-N-ethyl-4-N,4-N-dimethyl-2-propylpyrimidine-4,6-diamine
CID 80946313
4-N-butan-2-yl-6-N-ethyl-4-N-methyl-2-methylsulfanylpyrimidine-4,6-diamine
CID 80774336
4-N-(3,3-dimethylbutan-2-yl)-6-N-ethyl-4-N-methyl-2-propan-2-ylpyrimidine-4,6-diamine
CID 80961199

Frequently Asked Questions

What is the IUPAC name of 6-N,2-diethyl-4-N-methyl-4-N-(3-methylbutan-2-yl)pyrimidine-4,6-diamine?
The IUPAC name of 6-N,2-diethyl-4-N-methyl-4-N-(3-methylbutan-2-yl)pyrimidine-4,6-diamine (CID 80933374) is 6-N,2-diethyl-4-N-methyl-4-N-(3-methylbutan-2-yl)pyrimidine-4,6-diamine.
What is the SMILES notation for 6-N,2-diethyl-4-N-methyl-4-N-(3-methylbutan-2-yl)pyrimidine-4,6-diamine?
The canonical SMILES for 6-N,2-diethyl-4-N-methyl-4-N-(3-methylbutan-2-yl)pyrimidine-4,6-diamine is CCNc1cc(N(C)C(C)C(C)C)nc(CC)n1.
What is the InChIKey of 6-N,2-diethyl-4-N-methyl-4-N-(3-methylbutan-2-yl)pyrimidine-4,6-diamine?
The InChIKey is ZSPPSGGVQGORLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4/c1-7-12-16-13(15-8-2)9-14(17-12)18(6)11(5)10(3)4/h9-11H,7-8H2,1-6H3,(H,15,16,17).
What are the key properties of 6-N,2-diethyl-4-N-methyl-4-N-(3-methylbutan-2-yl)pyrimidine-4,6-diamine?
6-N,2-diethyl-4-N-methyl-4-N-(3-methylbutan-2-yl)pyrimidine-4,6-diamine has a molecular weight of 250.39 g/mol, XLogP of 2.95, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N,2-diethyl-4-N-methyl-4-N-(3-methylbutan-2-yl)pyrimidine-4,6-diamine is sourced from PubChem (CID 80933374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).