6-N-ethyl-2,5-dimethyl-4-N-(2-methylpropyl)-4-N-pentan-3-ylpyrimidine-4,6-diamine

C17H32N4 — CID 80837745

IUPAC6-N-ethyl-2,5-dimethyl-4-N-(2-methylpropyl)-4-N-pentan-3-ylpyrimidine-4,6-diamine
SMILESCCNc1nc(C)nc(N(CC(C)C)C(CC)CC)c1C
InChIInChI=1S/C17H32N4/c1-8-15(9-2)21(11-12(4)5)17-13(6)16(18-10-3)19-14(7)20-17/h12,15H,8-11H2,1-7H3,(H,18,19,20)
InChIKeyFIDJFIDLCFLIFG-UHFFFAOYSA-N
MW292.47 g/mol
LogP4.18
Rot. Bonds8

About 6-N-ethyl-2,5-dimethyl-4-N-(2-methylpropyl)-4-N-pentan-3-ylpyrimidine-4,6-diamine

6-N-ethyl-2,5-dimethyl-4-N-(2-methylpropyl)-4-N-pentan-3-ylpyrimidine-4,6-diamine (PubChem CID 80837745) has the molecular formula C17H32N4 and a molecular weight of 292.47 g/mol. Its IUPAC name is 6-N-ethyl-2,5-dimethyl-4-N-(2-methylpropyl)-4-N-pentan-3-ylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name6-N-ethyl-2,5-dimethyl-4-N-(2-methylpropyl)-4-N-pentan-3-ylpyrimidine-4,6-diamine
PubChem CID80837745
Molecular FormulaC17H32N4
Molecular Weight292.47 g/mol
Exact Mass292.26
IUPAC Name6-N-ethyl-2,5-dimethyl-4-N-(2-methylpropyl)-4-N-pentan-3-ylpyrimidine-4,6-diamine
SMILESCCNc1nc(C)nc(N(CC(C)C)C(CC)CC)c1C
InChIInChI=1S/C17H32N4/c1-8-15(9-2)21(11-12(4)5)17-13(6)16(18-10-3)19-14(7)20-17/h12,15H,8-11H2,1-7H3,(H,18,19,20)
InChIKeyFIDJFIDLCFLIFG-UHFFFAOYSA-N
XLogP4.18
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 ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-N,6-N-diethyl-2,5-dimethyl-4-N-(2-methylpropyl)pyrimidine-4,6-diamine
CID 80774157
4-N-[2-(dimethylamino)ethyl]-6-N-ethyl-2,5-dimethyl-4-N-(2-methylpropyl)pyrimidine-4,6-diamine
CID 80788923
6-N,2-diethyl-5-methyl-4-N,4-N-bis(2-methylpropyl)pyrimidine-4,6-diamine
CID 80987776
4-N-(1-cyclopropylethyl)-6-N-ethyl-4-N,2,5-trimethylpyrimidine-4,6-diamine
CID 80793711
6-N-ethyl-4-N,5-dimethyl-4-N-pentan-3-yl-2-propan-2-ylpyrimidine-4,6-diamine
CID 80993169
4-N-ethyl-6-N,2,5-trimethyl-4-N-(2-methylpropyl)pyrimidine-4,6-diamine
CID 80774156
4-N-[1-(dimethylamino)propan-2-yl]-6-N-ethyl-2,5-dimethylpyrimidine-4,6-diamine
CID 82949713
4-N,6-N-diethyl-5-methyl-4-N-(2-methylpropyl)-2-propylpyrimidine-4,6-diamine
CID 80993891
4-N,6-N-diethyl-5-methyl-4-N,2-di(propan-2-yl)pyrimidine-4,6-diamine
CID 80993605
4-N-[1-(dimethylamino)propan-2-yl]-4-N,6-N,2-triethyl-5-methylpyrimidine-4,6-diamine
CID 103192469
4-N-(2-methoxyethyl)-2,5-dimethyl-4-N-(2-methylpropyl)-6-N-propylpyrimidine-4,6-diamine
CID 80785196
4-N-butan-2-yl-2-cyclopropyl-4-N,6-N-diethyl-5-methylpyrimidine-4,6-diamine
CID 80994035

Frequently Asked Questions

What is the IUPAC name of 6-N-ethyl-2,5-dimethyl-4-N-(2-methylpropyl)-4-N-pentan-3-ylpyrimidine-4,6-diamine?
The IUPAC name of 6-N-ethyl-2,5-dimethyl-4-N-(2-methylpropyl)-4-N-pentan-3-ylpyrimidine-4,6-diamine (CID 80837745) is 6-N-ethyl-2,5-dimethyl-4-N-(2-methylpropyl)-4-N-pentan-3-ylpyrimidine-4,6-diamine.
What is the SMILES notation for 6-N-ethyl-2,5-dimethyl-4-N-(2-methylpropyl)-4-N-pentan-3-ylpyrimidine-4,6-diamine?
The canonical SMILES for 6-N-ethyl-2,5-dimethyl-4-N-(2-methylpropyl)-4-N-pentan-3-ylpyrimidine-4,6-diamine is CCNc1nc(C)nc(N(CC(C)C)C(CC)CC)c1C.
What is the InChIKey of 6-N-ethyl-2,5-dimethyl-4-N-(2-methylpropyl)-4-N-pentan-3-ylpyrimidine-4,6-diamine?
The InChIKey is FIDJFIDLCFLIFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N4/c1-8-15(9-2)21(11-12(4)5)17-13(6)16(18-10-3)19-14(7)20-17/h12,15H,8-11H2,1-7H3,(H,18,19,20).
What are the key properties of 6-N-ethyl-2,5-dimethyl-4-N-(2-methylpropyl)-4-N-pentan-3-ylpyrimidine-4,6-diamine?
6-N-ethyl-2,5-dimethyl-4-N-(2-methylpropyl)-4-N-pentan-3-ylpyrimidine-4,6-diamine has a molecular weight of 292.47 g/mol, XLogP of 4.18, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-ethyl-2,5-dimethyl-4-N-(2-methylpropyl)-4-N-pentan-3-ylpyrimidine-4,6-diamine is sourced from PubChem (CID 80837745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).