4-N-[3-(diethylamino)propyl]-4-N,6-N-diethyl-2-methylpyrimidine-4,6-diamine

C16H31N5 — CID 102998975

IUPAC4-N-[3-(diethylamino)propyl]-4-N,6-N-diethyl-2-methylpyrimidine-4,6-diamine
SMILESCCNc1cc(N(CC)CCCN(CC)CC)nc(C)n1
InChIInChI=1S/C16H31N5/c1-6-17-15-13-16(19-14(5)18-15)21(9-4)12-10-11-20(7-2)8-3/h13H,6-12H2,1-5H3,(H,17,18,19)
InChIKeyDRHWKDAEGLFNIY-UHFFFAOYSA-N
MW293.46 g/mol
LogP2.78
Rot. Bonds10

About 4-N-[3-(diethylamino)propyl]-4-N,6-N-diethyl-2-methylpyrimidine-4,6-diamine

4-N-[3-(diethylamino)propyl]-4-N,6-N-diethyl-2-methylpyrimidine-4,6-diamine (PubChem CID 102998975) has the molecular formula C16H31N5 and a molecular weight of 293.46 g/mol. Its IUPAC name is 4-N-[3-(diethylamino)propyl]-4-N,6-N-diethyl-2-methylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-[3-(diethylamino)propyl]-4-N,6-N-diethyl-2-methylpyrimidine-4,6-diamine
PubChem CID102998975
Molecular FormulaC16H31N5
Molecular Weight293.46 g/mol
Exact Mass293.26
IUPAC Name4-N-[3-(diethylamino)propyl]-4-N,6-N-diethyl-2-methylpyrimidine-4,6-diamine
SMILESCCNc1cc(N(CC)CCCN(CC)CC)nc(C)n1
InChIInChI=1S/C16H31N5/c1-6-17-15-13-16(19-14(5)18-15)21(9-4)12-10-11-20(7-2)8-3/h13H,6-12H2,1-5H3,(H,17,18,19)
InChIKeyDRHWKDAEGLFNIY-UHFFFAOYSA-N
XLogP2.78
TPSA44.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.46
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-N-[3-(dimethylamino)propyl]-4-N,6-N-diethylpyrimidine-2,4,6-triamine
CID 102998829
4-N,4-N-bis(2-ethoxyethyl)-6-N-ethyl-2-methylpyrimidine-4,6-diamine
CID 82943791
2-[ethyl-[6-(ethylamino)-2-methylpyrimidin-4-yl]amino]-N,N-dimethylacetamide
CID 80808678
6-[2-(diethylamino)ethoxy]-N-ethyl-2-methylpyrimidin-4-amine
CID 80871813
4-N-[3-(dimethylamino)propyl]-4-N,6-N-diethyl-2-(methoxymethyl)pyrimidine-4,6-diamine
CID 102998801
2-[ethyl-[2-methyl-6-(methylamino)pyrimidin-4-yl]amino]ethanol
CID 80791441
2-[2,2-difluoroethyl-[6-(ethylamino)-2-methylpyrimidin-4-yl]amino]ethanol
CID 107495156
4-N,4-N,6-N-triethylpyrimidine-2,4,6-triamine
CID 80767083
4-N-[3-(diethylamino)propyl]-4-N-ethylpyrimidine-2,4,6-triamine
CID 102998945
[2-[3-(diethylamino)propyl-ethylamino]-6-methyl-4-pyridinyl]methanol
CID 102996011
4-N-[2-(diethylamino)ethyl]-6-N,2-dimethylpyrimidine-4,6-diamine
CID 80769927
6-N-[3-(diethylamino)propyl]-6-N-ethyl-2-N-methylpyridine-2,6-diamine
CID 102998950

Frequently Asked Questions

What is the IUPAC name of 4-N-[3-(diethylamino)propyl]-4-N,6-N-diethyl-2-methylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-[3-(diethylamino)propyl]-4-N,6-N-diethyl-2-methylpyrimidine-4,6-diamine (CID 102998975) is 4-N-[3-(diethylamino)propyl]-4-N,6-N-diethyl-2-methylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-[3-(diethylamino)propyl]-4-N,6-N-diethyl-2-methylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-[3-(diethylamino)propyl]-4-N,6-N-diethyl-2-methylpyrimidine-4,6-diamine is CCNc1cc(N(CC)CCCN(CC)CC)nc(C)n1.
What is the InChIKey of 4-N-[3-(diethylamino)propyl]-4-N,6-N-diethyl-2-methylpyrimidine-4,6-diamine?
The InChIKey is DRHWKDAEGLFNIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N5/c1-6-17-15-13-16(19-14(5)18-15)21(9-4)12-10-11-20(7-2)8-3/h13H,6-12H2,1-5H3,(H,17,18,19).
What are the key properties of 4-N-[3-(diethylamino)propyl]-4-N,6-N-diethyl-2-methylpyrimidine-4,6-diamine?
4-N-[3-(diethylamino)propyl]-4-N,6-N-diethyl-2-methylpyrimidine-4,6-diamine has a molecular weight of 293.46 g/mol, XLogP of 2.78, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[3-(diethylamino)propyl]-4-N,6-N-diethyl-2-methylpyrimidine-4,6-diamine is sourced from PubChem (CID 102998975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).