4-N-butan-2-yl-4-N-butyl-6-N,2-diethylpyrimidine-4,6-diamine

C16H30N4 — CID 80934873

IUPAC4-N-butan-2-yl-4-N-butyl-6-N,2-diethylpyrimidine-4,6-diamine
SMILESCCCCN(c1cc(NCC)nc(CC)n1)C(C)CC
InChIInChI=1S/C16H30N4/c1-6-10-11-20(13(5)7-2)16-12-15(17-9-4)18-14(8-3)19-16/h12-13H,6-11H2,1-5H3,(H,17,18,19)
InChIKeyAAOPPSMWJFGOGP-UHFFFAOYSA-N
MW278.44 g/mol
LogP3.88
Rot. Bonds9

About 4-N-butan-2-yl-4-N-butyl-6-N,2-diethylpyrimidine-4,6-diamine

4-N-butan-2-yl-4-N-butyl-6-N,2-diethylpyrimidine-4,6-diamine (PubChem CID 80934873) has the molecular formula C16H30N4 and a molecular weight of 278.44 g/mol. Its IUPAC name is 4-N-butan-2-yl-4-N-butyl-6-N,2-diethylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-butan-2-yl-4-N-butyl-6-N,2-diethylpyrimidine-4,6-diamine
PubChem CID80934873
Molecular FormulaC16H30N4
Molecular Weight278.44 g/mol
Exact Mass278.25
IUPAC Name4-N-butan-2-yl-4-N-butyl-6-N,2-diethylpyrimidine-4,6-diamine
SMILESCCCCN(c1cc(NCC)nc(CC)n1)C(C)CC
InChIInChI=1S/C16H30N4/c1-6-10-11-20(13(5)7-2)16-12-15(17-9-4)18-14(8-3)19-16/h12-13H,6-11H2,1-5H3,(H,17,18,19)
InChIKeyAAOPPSMWJFGOGP-UHFFFAOYSA-N
XLogP3.88
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.44
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-butan-2-yl-2-ethyl-4-N-(2-methoxyethyl)-6-N-methylpyrimidine-4,6-diamine
CID 80935470
6-N,2-diethyl-4-N-methyl-4-N-(3-methylbutan-2-yl)pyrimidine-4,6-diamine
CID 80933374
4-N-butyl-6-N-ethyl-4-N-methyl-2-propylpyrimidine-4,6-diamine
CID 80945395
4-N-butyl-2-ethyl-4-N-methyl-6-N-propylpyrimidine-4,6-diamine
CID 80933822
2-ethyl-4-N-methyl-4-N-propan-2-yl-6-N-propylpyrimidine-4,6-diamine
CID 80933924
4-N,4-N-dibutyl-6-N-ethyl-2-propan-2-ylpyrimidine-4,6-diamine
CID 80949421
5-N-butan-2-yl-5-N-butyl-3-N-ethylpyridine-3,5-diamine
CID 113423883
4-N-(3,5-dimethylphenyl)-6-N,2-diethyl-4-N-methylpyrimidine-4,6-diamine
CID 80940477
4-N-butyl-6-N-ethyl-2-(methoxymethyl)-4-N-methylpyrimidine-4,6-diamine
CID 113401240
6-N,2-diethyl-4-N-(3-methylbutan-2-yl)pyrimidine-4,6-diamine
CID 80933317
1-[ethyl-[2-ethyl-6-(ethylamino)pyrimidin-4-yl]amino]-2-methylpropan-2-ol
CID 80942101
6-N,2-diethyl-4-N-methyl-4-N-(3,3,3-trifluoropropyl)pyrimidine-4,6-diamine
CID 80942506

Frequently Asked Questions

What is the IUPAC name of 4-N-butan-2-yl-4-N-butyl-6-N,2-diethylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-butan-2-yl-4-N-butyl-6-N,2-diethylpyrimidine-4,6-diamine (CID 80934873) is 4-N-butan-2-yl-4-N-butyl-6-N,2-diethylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-butan-2-yl-4-N-butyl-6-N,2-diethylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-butan-2-yl-4-N-butyl-6-N,2-diethylpyrimidine-4,6-diamine is CCCCN(c1cc(NCC)nc(CC)n1)C(C)CC.
What is the InChIKey of 4-N-butan-2-yl-4-N-butyl-6-N,2-diethylpyrimidine-4,6-diamine?
The InChIKey is AAOPPSMWJFGOGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N4/c1-6-10-11-20(13(5)7-2)16-12-15(17-9-4)18-14(8-3)19-16/h12-13H,6-11H2,1-5H3,(H,17,18,19).
What are the key properties of 4-N-butan-2-yl-4-N-butyl-6-N,2-diethylpyrimidine-4,6-diamine?
4-N-butan-2-yl-4-N-butyl-6-N,2-diethylpyrimidine-4,6-diamine has a molecular weight of 278.44 g/mol, XLogP of 3.88, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-butan-2-yl-4-N-butyl-6-N,2-diethylpyrimidine-4,6-diamine is sourced from PubChem (CID 80934873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).