6-N-methyl-4-N,4-N-bis(2-methylpropyl)-2-propylpyrimidine-4,6-diamine

C16H30N4 — CID 80954728

IUPAC6-N-methyl-4-N,4-N-bis(2-methylpropyl)-2-propylpyrimidine-4,6-diamine
SMILESCCCc1nc(NC)cc(N(CC(C)C)CC(C)C)n1
InChIInChI=1S/C16H30N4/c1-7-8-14-18-15(17-6)9-16(19-14)20(10-12(2)3)11-13(4)5/h9,12-13H,7-8,10-11H2,1-6H3,(H,17,18,19)
InChIKeyMBTQCFGZCANEJB-UHFFFAOYSA-N
MW278.44 g/mol
LogP3.59
Rot. Bonds8

About 6-N-methyl-4-N,4-N-bis(2-methylpropyl)-2-propylpyrimidine-4,6-diamine

6-N-methyl-4-N,4-N-bis(2-methylpropyl)-2-propylpyrimidine-4,6-diamine (PubChem CID 80954728) has the molecular formula C16H30N4 and a molecular weight of 278.44 g/mol. Its IUPAC name is 6-N-methyl-4-N,4-N-bis(2-methylpropyl)-2-propylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name6-N-methyl-4-N,4-N-bis(2-methylpropyl)-2-propylpyrimidine-4,6-diamine
PubChem CID80954728
Molecular FormulaC16H30N4
Molecular Weight278.44 g/mol
Exact Mass278.25
IUPAC Name6-N-methyl-4-N,4-N-bis(2-methylpropyl)-2-propylpyrimidine-4,6-diamine
SMILESCCCc1nc(NC)cc(N(CC(C)C)CC(C)C)n1
InChIInChI=1S/C16H30N4/c1-7-8-14-18-15(17-6)9-16(19-14)20(10-12(2)3)11-13(4)5/h9,12-13H,7-8,10-11H2,1-6H3,(H,17,18,19)
InChIKeyMBTQCFGZCANEJB-UHFFFAOYSA-N
XLogP3.59
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.44
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-N-methyl-4-N,4-N,2-tripropylpyrimidine-4,6-diamine
CID 80946205
6-chloro-N,N-bis(2-methylpropyl)-2-propylpyrimidin-4-amine
CID 80939424
4-N,4-N-bis(2-methoxyethyl)-6-N-methyl-2-propylpyrimidine-4,6-diamine
CID 80955285
2-[cyanomethyl-[6-(methylamino)-2-propylpyrimidin-4-yl]amino]acetonitrile
CID 80946486
6-N-methyl-4-N,4-N-bis(2-methylpropyl)pyrimidine-2,4,6-triamine
CID 80794701
2-ethyl-4-N-(2-methoxyethyl)-6-N-methyl-4-N-(2-methylpropyl)pyrimidine-4,6-diamine
CID 80935014
4-N,2-diethyl-6-N-methyl-4-N-(2-methylbutyl)pyrimidine-4,6-diamine
CID 80941500
3-[[2-ethyl-6-(methylamino)pyrimidin-4-yl]-(2-methylpropyl)amino]propanenitrile
CID 80934878
4-N-cyclopropyl-4-N-ethyl-6-N-methyl-2-propylpyrimidine-4,6-diamine
CID 80954276
4-N-(2-methoxyethyl)-4-N-(1-methoxypropan-2-yl)-6-N-methyl-2-propylpyrimidine-4,6-diamine
CID 80942440
4-N-ethyl-6-N-methyl-2-propylpyrimidine-4,6-diamine
CID 80946507
6-hydrazinyl-N,N,2-tripropylpyrimidin-4-amine
CID 80947753

Frequently Asked Questions

What is the IUPAC name of 6-N-methyl-4-N,4-N-bis(2-methylpropyl)-2-propylpyrimidine-4,6-diamine?
The IUPAC name of 6-N-methyl-4-N,4-N-bis(2-methylpropyl)-2-propylpyrimidine-4,6-diamine (CID 80954728) is 6-N-methyl-4-N,4-N-bis(2-methylpropyl)-2-propylpyrimidine-4,6-diamine.
What is the SMILES notation for 6-N-methyl-4-N,4-N-bis(2-methylpropyl)-2-propylpyrimidine-4,6-diamine?
The canonical SMILES for 6-N-methyl-4-N,4-N-bis(2-methylpropyl)-2-propylpyrimidine-4,6-diamine is CCCc1nc(NC)cc(N(CC(C)C)CC(C)C)n1.
What is the InChIKey of 6-N-methyl-4-N,4-N-bis(2-methylpropyl)-2-propylpyrimidine-4,6-diamine?
The InChIKey is MBTQCFGZCANEJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N4/c1-7-8-14-18-15(17-6)9-16(19-14)20(10-12(2)3)11-13(4)5/h9,12-13H,7-8,10-11H2,1-6H3,(H,17,18,19).
What are the key properties of 6-N-methyl-4-N,4-N-bis(2-methylpropyl)-2-propylpyrimidine-4,6-diamine?
6-N-methyl-4-N,4-N-bis(2-methylpropyl)-2-propylpyrimidine-4,6-diamine has a molecular weight of 278.44 g/mol, XLogP of 3.59, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-methyl-4-N,4-N-bis(2-methylpropyl)-2-propylpyrimidine-4,6-diamine is sourced from PubChem (CID 80954728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).