4-N-[3-(dimethylamino)propyl]-4-N-ethylpyrimidine-2,4-diamine

C11H21N5 — CID 102998809

IUPAC4-N-[3-(dimethylamino)propyl]-4-N-ethylpyrimidine-2,4-diamine
SMILESCCN(CCCN(C)C)c1ccnc(N)n1
InChIInChI=1S/C11H21N5/c1-4-16(9-5-8-15(2)3)10-6-7-13-11(12)14-10/h6-7H,4-5,8-9H2,1-3H3,(H2,12,13,14)
InChIKeySYPZZTJQPUDLGN-UHFFFAOYSA-N
MW223.32 g/mol
LogP0.84
Rot. Bonds6

About 4-N-[3-(dimethylamino)propyl]-4-N-ethylpyrimidine-2,4-diamine

4-N-[3-(dimethylamino)propyl]-4-N-ethylpyrimidine-2,4-diamine (PubChem CID 102998809) has the molecular formula C11H21N5 and a molecular weight of 223.32 g/mol. Its IUPAC name is 4-N-[3-(dimethylamino)propyl]-4-N-ethylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-[3-(dimethylamino)propyl]-4-N-ethylpyrimidine-2,4-diamine
PubChem CID102998809
Molecular FormulaC11H21N5
Molecular Weight223.32 g/mol
Exact Mass223.18
IUPAC Name4-N-[3-(dimethylamino)propyl]-4-N-ethylpyrimidine-2,4-diamine
SMILESCCN(CCCN(C)C)c1ccnc(N)n1
InChIInChI=1S/C11H21N5/c1-4-16(9-5-8-15(2)3)10-6-7-13-11(12)14-10/h6-7H,4-5,8-9H2,1-3H3,(H2,12,13,14)
InChIKeySYPZZTJQPUDLGN-UHFFFAOYSA-N
XLogP0.84
TPSA58.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(2-aminopyrimidin-4-yl)-butylamino]ethanol
CID 80808960
2-[(2-aminopyrimidin-4-yl)-ethylamino]-N,N-dimethylacetamide
CID 80809739
N-butyl-N-ethyl-2-hydrazinylpyrimidin-4-amine
CID 80918365
2-[(2-aminopyrimidin-4-yl)-butylamino]acetamide
CID 80821112
4-N-[3-(dimethylamino)propyl]-4-N,6-N-diethylpyrimidine-2,4,6-triamine
CID 102998829
6-N-[3-(dimethylamino)propyl]-2-N,6-N-diethylpyridine-2,6-diamine
CID 102998802
4-N-[3-(dimethylamino)propyl]-4-N-ethyl-2-propan-2-ylpyrimidine-4,6-diamine
CID 102998858
2-N-tert-butyl-6-N-[3-(dimethylamino)propyl]-6-N-ethylpyridine-2,6-diamine
CID 102997418
2-N-[3-(dimethylamino)propyl]-2-N-ethyl-6-methylpyridine-2,3-diamine
CID 102991165
N'-ethyl-N'-(2-ethyl-6-hydrazinylpyrimidin-4-yl)-N,N-dimethylpropane-1,3-diamine
CID 102999011
6-N-[3-(dimethylamino)propyl]-6-N-ethyl-2-N-propylpyridine-2,6-diamine
CID 102998825
4-N-methyl-4-N-(2-methylsulfanylethyl)pyrimidine-2,4-diamine
CID 112667653

Frequently Asked Questions

What is the IUPAC name of 4-N-[3-(dimethylamino)propyl]-4-N-ethylpyrimidine-2,4-diamine?
The IUPAC name of 4-N-[3-(dimethylamino)propyl]-4-N-ethylpyrimidine-2,4-diamine (CID 102998809) is 4-N-[3-(dimethylamino)propyl]-4-N-ethylpyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-[3-(dimethylamino)propyl]-4-N-ethylpyrimidine-2,4-diamine?
The canonical SMILES for 4-N-[3-(dimethylamino)propyl]-4-N-ethylpyrimidine-2,4-diamine is CCN(CCCN(C)C)c1ccnc(N)n1.
What is the InChIKey of 4-N-[3-(dimethylamino)propyl]-4-N-ethylpyrimidine-2,4-diamine?
The InChIKey is SYPZZTJQPUDLGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N5/c1-4-16(9-5-8-15(2)3)10-6-7-13-11(12)14-10/h6-7H,4-5,8-9H2,1-3H3,(H2,12,13,14).
What are the key properties of 4-N-[3-(dimethylamino)propyl]-4-N-ethylpyrimidine-2,4-diamine?
4-N-[3-(dimethylamino)propyl]-4-N-ethylpyrimidine-2,4-diamine has a molecular weight of 223.32 g/mol, XLogP of 0.84, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[3-(dimethylamino)propyl]-4-N-ethylpyrimidine-2,4-diamine is sourced from PubChem (CID 102998809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).