4-N-[1-(dimethylamino)propan-2-yl]-4-N,6-N,2-triethyl-5-methylpyrimidine-4,6-diamine

C16H31N5 — CID 103192469

IUPAC4-N-[1-(dimethylamino)propan-2-yl]-4-N,6-N,2-triethyl-5-methylpyrimidine-4,6-diamine
SMILESCCNc1nc(CC)nc(N(CC)C(C)CN(C)C)c1C
InChIInChI=1S/C16H31N5/c1-8-14-18-15(17-9-2)13(5)16(19-14)21(10-3)12(4)11-20(6)7/h12H,8-11H2,1-7H3,(H,17,18,19)
InChIKeySGTYWPJGGQBONS-UHFFFAOYSA-N
MW293.46 g/mol
LogP2.56
Rot. Bonds8

About 4-N-[1-(dimethylamino)propan-2-yl]-4-N,6-N,2-triethyl-5-methylpyrimidine-4,6-diamine

4-N-[1-(dimethylamino)propan-2-yl]-4-N,6-N,2-triethyl-5-methylpyrimidine-4,6-diamine (PubChem CID 103192469) has the molecular formula C16H31N5 and a molecular weight of 293.46 g/mol. Its IUPAC name is 4-N-[1-(dimethylamino)propan-2-yl]-4-N,6-N,2-triethyl-5-methylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-[1-(dimethylamino)propan-2-yl]-4-N,6-N,2-triethyl-5-methylpyrimidine-4,6-diamine
PubChem CID103192469
Molecular FormulaC16H31N5
Molecular Weight293.46 g/mol
Exact Mass293.26
IUPAC Name4-N-[1-(dimethylamino)propan-2-yl]-4-N,6-N,2-triethyl-5-methylpyrimidine-4,6-diamine
SMILESCCNc1nc(CC)nc(N(CC)C(C)CN(C)C)c1C
InChIInChI=1S/C16H31N5/c1-8-14-18-15(17-9-2)13(5)16(19-14)21(10-3)12(4)11-20(6)7/h12H,8-11H2,1-7H3,(H,17,18,19)
InChIKeySGTYWPJGGQBONS-UHFFFAOYSA-N
XLogP2.56
TPSA44.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.46
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-N-[1-(dimethylamino)propan-2-yl]-4-N,6-N,2-triethyl-5-methylpyrimidine-4,6-diamine with MolForge

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Related Compounds

6-N,2-diethyl-5-methyl-4-N,4-N-bis(2-methylpropyl)pyrimidine-4,6-diamine
CID 80987776
4-N-butan-2-yl-4-N,2-diethyl-5-methyl-6-N-propylpyrimidine-4,6-diamine
CID 80994284
6-N-ethyl-4-N,5-dimethyl-4-N-(3-methylbutyl)-2-propylpyrimidine-4,6-diamine
CID 80986177
4-N,6-N-diethyl-5-methyl-4-N-(2-methylpropyl)-2-propylpyrimidine-4,6-diamine
CID 80993891
4-N-butan-2-yl-2-cyclopropyl-4-N,6-N-diethyl-5-methylpyrimidine-4,6-diamine
CID 80994035
4-N,6-N-diethyl-5-methyl-4-N,2-di(propan-2-yl)pyrimidine-4,6-diamine
CID 80993605
6-N,2-diethyl-5-methyl-4-N-(5-methylhexyl)pyrimidine-4,6-diamine
CID 115327660
1-[[2-ethyl-5-methyl-6-(propylamino)pyrimidin-4-yl]-methylamino]propan-2-ol
CID 80982738
4-N,6-N-diethyl-4-N-(1-methoxypropan-2-yl)-5-methyl-2-propan-2-ylpyrimidine-4,6-diamine
CID 80983477
4-N-[2-(diethylamino)ethyl]-6-N,2-diethyl-5-methylpyrimidine-4,6-diamine
CID 80980989
4-N-cyclopentyl-6-N-ethyl-4-N,5-dimethyl-2-propylpyrimidine-4,6-diamine
CID 80993281
6-N,2-diethyl-5-methyl-4-N-propylpyrimidine-4,6-diamine
CID 80980725

Frequently Asked Questions

What is the IUPAC name of 4-N-[1-(dimethylamino)propan-2-yl]-4-N,6-N,2-triethyl-5-methylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-[1-(dimethylamino)propan-2-yl]-4-N,6-N,2-triethyl-5-methylpyrimidine-4,6-diamine (CID 103192469) is 4-N-[1-(dimethylamino)propan-2-yl]-4-N,6-N,2-triethyl-5-methylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-[1-(dimethylamino)propan-2-yl]-4-N,6-N,2-triethyl-5-methylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-[1-(dimethylamino)propan-2-yl]-4-N,6-N,2-triethyl-5-methylpyrimidine-4,6-diamine is CCNc1nc(CC)nc(N(CC)C(C)CN(C)C)c1C.
What is the InChIKey of 4-N-[1-(dimethylamino)propan-2-yl]-4-N,6-N,2-triethyl-5-methylpyrimidine-4,6-diamine?
The InChIKey is SGTYWPJGGQBONS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N5/c1-8-14-18-15(17-9-2)13(5)16(19-14)21(10-3)12(4)11-20(6)7/h12H,8-11H2,1-7H3,(H,17,18,19).
What are the key properties of 4-N-[1-(dimethylamino)propan-2-yl]-4-N,6-N,2-triethyl-5-methylpyrimidine-4,6-diamine?
4-N-[1-(dimethylamino)propan-2-yl]-4-N,6-N,2-triethyl-5-methylpyrimidine-4,6-diamine has a molecular weight of 293.46 g/mol, XLogP of 2.56, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[1-(dimethylamino)propan-2-yl]-4-N,6-N,2-triethyl-5-methylpyrimidine-4,6-diamine is sourced from PubChem (CID 103192469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).