4-N-[3-(diethylamino)propyl]-4-N-ethyl-5-methylpyrimidine-2,4-diamine

C14H27N5 — CID 102998979

IUPAC4-N-[3-(diethylamino)propyl]-4-N-ethyl-5-methylpyrimidine-2,4-diamine
SMILESCCN(CC)CCCN(CC)c1nc(N)ncc1C
InChIInChI=1S/C14H27N5/c1-5-18(6-2)9-8-10-19(7-3)13-12(4)11-16-14(15)17-13/h11H,5-10H2,1-4H3,(H2,15,16,17)
InChIKeyQHYJCXMOUQRZPM-UHFFFAOYSA-N
MW265.40 g/mol
LogP1.93
Rot. Bonds8

About 4-N-[3-(diethylamino)propyl]-4-N-ethyl-5-methylpyrimidine-2,4-diamine

4-N-[3-(diethylamino)propyl]-4-N-ethyl-5-methylpyrimidine-2,4-diamine (PubChem CID 102998979) has the molecular formula C14H27N5 and a molecular weight of 265.40 g/mol. Its IUPAC name is 4-N-[3-(diethylamino)propyl]-4-N-ethyl-5-methylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-[3-(diethylamino)propyl]-4-N-ethyl-5-methylpyrimidine-2,4-diamine
PubChem CID102998979
Molecular FormulaC14H27N5
Molecular Weight265.40 g/mol
Exact Mass265.23
IUPAC Name4-N-[3-(diethylamino)propyl]-4-N-ethyl-5-methylpyrimidine-2,4-diamine
SMILESCCN(CC)CCCN(CC)c1nc(N)ncc1C
InChIInChI=1S/C14H27N5/c1-5-18(6-2)9-8-10-19(7-3)13-12(4)11-16-14(15)17-13/h11H,5-10H2,1-4H3,(H2,15,16,17)
InChIKeyQHYJCXMOUQRZPM-UHFFFAOYSA-N
XLogP1.93
TPSA58.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-bromo-4-N-[3-(diethylamino)propyl]-4-N-ethylpyrimidine-2,4-diamine
CID 102998924
2-[(2-amino-5-methylpyrimidin-4-yl)-ethylamino]ethanol
CID 80791211
N'-(2-chloro-5-methylpyrimidin-4-yl)-N'-ethyl-N,N-dimethylpropane-1,3-diamine
CID 102995627
2-[(2-amino-5-methylpyrimidin-4-yl)-(cyanomethyl)amino]acetonitrile
CID 80753562
2-[(2-amino-5-methylpyrimidin-4-yl)-(2-amino-2-oxoethyl)amino]acetamide
CID 80824373
5-amino-2-[3-(diethylamino)propyl-ethylamino]pyridine-3-carbonitrile
CID 102991206
2-N-[3-(diethylamino)propyl]-2-N-ethylpyrazine-2,6-diamine
CID 102998767
4-N-[3-(diethylamino)propyl]-4-N-ethylpyrimidine-2,4,6-triamine
CID 102998945
N'-[3-(aminomethyl)-6-methyl-2-pyridinyl]-N,N,N'-triethylpropane-1,3-diamine
CID 102991359
3-[(2-amino-5-methylpyrimidin-4-yl)-(2-methoxyethyl)amino]propanenitrile
CID 80830637
5-amino-4-[3-(diethylamino)propyl-ethylamino]-1H-pyrimidin-6-one
CID 136752206
2-[(2-amino-5-bromopyrimidin-4-yl)-ethylamino]ethanol
CID 80790255

Frequently Asked Questions

What is the IUPAC name of 4-N-[3-(diethylamino)propyl]-4-N-ethyl-5-methylpyrimidine-2,4-diamine?
The IUPAC name of 4-N-[3-(diethylamino)propyl]-4-N-ethyl-5-methylpyrimidine-2,4-diamine (CID 102998979) is 4-N-[3-(diethylamino)propyl]-4-N-ethyl-5-methylpyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-[3-(diethylamino)propyl]-4-N-ethyl-5-methylpyrimidine-2,4-diamine?
The canonical SMILES for 4-N-[3-(diethylamino)propyl]-4-N-ethyl-5-methylpyrimidine-2,4-diamine is CCN(CC)CCCN(CC)c1nc(N)ncc1C.
What is the InChIKey of 4-N-[3-(diethylamino)propyl]-4-N-ethyl-5-methylpyrimidine-2,4-diamine?
The InChIKey is QHYJCXMOUQRZPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N5/c1-5-18(6-2)9-8-10-19(7-3)13-12(4)11-16-14(15)17-13/h11H,5-10H2,1-4H3,(H2,15,16,17).
What are the key properties of 4-N-[3-(diethylamino)propyl]-4-N-ethyl-5-methylpyrimidine-2,4-diamine?
4-N-[3-(diethylamino)propyl]-4-N-ethyl-5-methylpyrimidine-2,4-diamine has a molecular weight of 265.40 g/mol, XLogP of 1.93, 8 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-ethyl-5-methylpyrimidine-2,4-diamine is sourced from PubChem (CID 102998979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).