6-N-methyl-4-N-(2-methylpropyl)-4-N-pentan-3-yl-5-propan-2-ylpyrimidine-4,6-diamine

C17H32N4 — CID 80837463

IUPAC6-N-methyl-4-N-(2-methylpropyl)-4-N-pentan-3-yl-5-propan-2-ylpyrimidine-4,6-diamine
SMILESCCC(CC)N(CC(C)C)c1ncnc(NC)c1C(C)C
InChIInChI=1S/C17H32N4/c1-8-14(9-2)21(10-12(3)4)17-15(13(5)6)16(18-7)19-11-20-17/h11-14H,8-10H2,1-7H3,(H,18,19,20)
InChIKeyBEJLSCBEBWONMP-UHFFFAOYSA-N
MW292.47 g/mol
LogP4.29
Rot. Bonds8

About 6-N-methyl-4-N-(2-methylpropyl)-4-N-pentan-3-yl-5-propan-2-ylpyrimidine-4,6-diamine

6-N-methyl-4-N-(2-methylpropyl)-4-N-pentan-3-yl-5-propan-2-ylpyrimidine-4,6-diamine (PubChem CID 80837463) has the molecular formula C17H32N4 and a molecular weight of 292.47 g/mol. Its IUPAC name is 6-N-methyl-4-N-(2-methylpropyl)-4-N-pentan-3-yl-5-propan-2-ylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name6-N-methyl-4-N-(2-methylpropyl)-4-N-pentan-3-yl-5-propan-2-ylpyrimidine-4,6-diamine
PubChem CID80837463
Molecular FormulaC17H32N4
Molecular Weight292.47 g/mol
Exact Mass292.26
IUPAC Name6-N-methyl-4-N-(2-methylpropyl)-4-N-pentan-3-yl-5-propan-2-ylpyrimidine-4,6-diamine
SMILESCCC(CC)N(CC(C)C)c1ncnc(NC)c1C(C)C
InChIInChI=1S/C17H32N4/c1-8-14(9-2)21(10-12(3)4)17-15(13(5)6)16(18-7)19-11-20-17/h11-14H,8-10H2,1-7H3,(H,18,19,20)
InChIKeyBEJLSCBEBWONMP-UHFFFAOYSA-N
XLogP4.29
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.47
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 6-N-methyl-4-N-(2-methylpropyl)-4-N-pentan-3-yl-5-propan-2-ylpyrimidine-4,6-diamine with MolForge

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Related Compounds

4-N-(2-methoxyethyl)-6-N-methyl-4-N-pentan-3-yl-5-propan-2-ylpyrimidine-4,6-diamine
CID 80787048
4-N-(2-methylpropyl)-4-N-pentan-3-yl-5-propan-2-ylpyrimidine-4,6-diamine
CID 80849502
2-[[6-(methylamino)-5-propan-2-ylpyrimidin-4-yl]-(2-methylpropyl)amino]acetamide
CID 80821267
6-hydrazinyl-N-(2-methylpropyl)-5-nitro-N-pentan-3-ylpyrimidin-4-amine
CID 80929018
6-hydrazinyl-N,N-bis(2-methylpropyl)-5-propan-2-ylpyrimidin-4-amine
CID 80898611
4-N,6-N-diethyl-4-N-(2-methylpropyl)-5-propan-2-ylpyrimidine-4,6-diamine
CID 80774341
6-N-methyl-4-N-(3-methylbutyl)-5-propan-2-ylpyrimidine-4,6-diamine
CID 80786302
6-N-methyl-4-N,4-N-bis(2-methylpropyl)pyrimidine-4,5,6-triamine
CID 19134997
6-chloro-N-(2-methylpropyl)-N-pentan-3-yl-5-propylpyrimidin-4-amine
CID 79491060
6-N-methyl-4-N-(3-methylpentan-2-yl)-5-propan-2-ylpyrimidine-4,6-diamine
CID 80804161
6-N-methyl-4-N-(2-methylpropyl)-5-nitro-4-N-propan-2-ylpyrimidine-4,6-diamine
CID 80820646
4-N,6-N-dimethyl-5-propan-2-yl-4-N-(pyridin-4-ylmethyl)pyrimidine-4,6-diamine
CID 80787539

Frequently Asked Questions

What is the IUPAC name of 6-N-methyl-4-N-(2-methylpropyl)-4-N-pentan-3-yl-5-propan-2-ylpyrimidine-4,6-diamine?
The IUPAC name of 6-N-methyl-4-N-(2-methylpropyl)-4-N-pentan-3-yl-5-propan-2-ylpyrimidine-4,6-diamine (CID 80837463) is 6-N-methyl-4-N-(2-methylpropyl)-4-N-pentan-3-yl-5-propan-2-ylpyrimidine-4,6-diamine.
What is the SMILES notation for 6-N-methyl-4-N-(2-methylpropyl)-4-N-pentan-3-yl-5-propan-2-ylpyrimidine-4,6-diamine?
The canonical SMILES for 6-N-methyl-4-N-(2-methylpropyl)-4-N-pentan-3-yl-5-propan-2-ylpyrimidine-4,6-diamine is CCC(CC)N(CC(C)C)c1ncnc(NC)c1C(C)C.
What is the InChIKey of 6-N-methyl-4-N-(2-methylpropyl)-4-N-pentan-3-yl-5-propan-2-ylpyrimidine-4,6-diamine?
The InChIKey is BEJLSCBEBWONMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N4/c1-8-14(9-2)21(10-12(3)4)17-15(13(5)6)16(18-7)19-11-20-17/h11-14H,8-10H2,1-7H3,(H,18,19,20).
What are the key properties of 6-N-methyl-4-N-(2-methylpropyl)-4-N-pentan-3-yl-5-propan-2-ylpyrimidine-4,6-diamine?
6-N-methyl-4-N-(2-methylpropyl)-4-N-pentan-3-yl-5-propan-2-ylpyrimidine-4,6-diamine has a molecular weight of 292.47 g/mol, XLogP of 4.29, 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-(2-methylpropyl)-4-N-pentan-3-yl-5-propan-2-ylpyrimidine-4,6-diamine is sourced from PubChem (CID 80837463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).