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

C14H27N5O — CID 103187597

IUPAC4-N-[1-(dimethylamino)propan-2-yl]-4-N-ethyl-6-propoxypyrimidine-4,5-diamine
SMILESCCCOc1ncnc(N(CC)C(C)CN(C)C)c1N
InChIInChI=1S/C14H27N5O/c1-6-8-20-14-12(15)13(16-10-17-14)19(7-2)11(3)9-18(4)5/h10-11H,6-9,15H2,1-5H3
InChIKeyFOWFBOKQWLXHSA-UHFFFAOYSA-N
MW281.40 g/mol
LogP1.62
Rot. Bonds8

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

4-N-[1-(dimethylamino)propan-2-yl]-4-N-ethyl-6-propoxypyrimidine-4,5-diamine (PubChem CID 103187597) has the molecular formula C14H27N5O and a molecular weight of 281.40 g/mol. Its IUPAC name is 4-N-[1-(dimethylamino)propan-2-yl]-4-N-ethyl-6-propoxypyrimidine-4,5-diamine.

Molecular Properties

Compound Name4-N-[1-(dimethylamino)propan-2-yl]-4-N-ethyl-6-propoxypyrimidine-4,5-diamine
PubChem CID103187597
Molecular FormulaC14H27N5O
Molecular Weight281.40 g/mol
Exact Mass281.22
IUPAC Name4-N-[1-(dimethylamino)propan-2-yl]-4-N-ethyl-6-propoxypyrimidine-4,5-diamine
SMILESCCCOc1ncnc(N(CC)C(C)CN(C)C)c1N
InChIInChI=1S/C14H27N5O/c1-6-8-20-14-12(15)13(16-10-17-14)19(7-2)11(3)9-18(4)5/h10-11H,6-9,15H2,1-5H3
InChIKeyFOWFBOKQWLXHSA-UHFFFAOYSA-N
XLogP1.62
TPSA67.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-N-(6-chloro-5-methoxypyrimidin-4-yl)-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine
CID 103190317
3-[(5-amino-6-propoxypyrimidin-4-yl)-methylamino]-N-methylpropanamide
CID 106914177
3-N-[1-(dimethylamino)propan-2-yl]-3-N-ethyl-1-methylpyrazole-3,4-diamine
CID 103187585
2-N-ethyl-2-N-(6-hydrazinyl-5-nitropyrimidin-4-yl)-1-N,1-N-dimethylpropane-1,2-diamine
CID 103192603
2-N-(3,5-dibromo-2-pyridinyl)-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine
CID 103190681
4-N-(2-ethoxyethyl)-4-N-methyl-6-propan-2-yloxypyrimidine-4,5-diamine
CID 81058356
5-methyl-6-propoxypyrimidin-4-amine
CID 80866562
4-[2-[di(propan-2-yl)amino]ethoxy]-6-ethoxypyrimidin-5-amine
CID 115505378
4-(3-methoxy-3-methylbutoxy)-6-propoxypyrimidin-5-amine
CID 106664845
4-N-[3-(dimethylamino)phenyl]-6-propoxypyrimidine-4,5-diamine
CID 115376024
3-[(5-amino-6-propoxypyrimidin-4-yl)amino]-4-methylpentan-1-ol
CID 106348239
2-N-[1-(dimethylamino)-3-methylbutan-2-yl]-6-propoxypyridine-2,5-diamine
CID 61476370

Frequently Asked Questions

What is the IUPAC name of 4-N-[1-(dimethylamino)propan-2-yl]-4-N-ethyl-6-propoxypyrimidine-4,5-diamine?
The IUPAC name of 4-N-[1-(dimethylamino)propan-2-yl]-4-N-ethyl-6-propoxypyrimidine-4,5-diamine (CID 103187597) is 4-N-[1-(dimethylamino)propan-2-yl]-4-N-ethyl-6-propoxypyrimidine-4,5-diamine.
What is the SMILES notation for 4-N-[1-(dimethylamino)propan-2-yl]-4-N-ethyl-6-propoxypyrimidine-4,5-diamine?
The canonical SMILES for 4-N-[1-(dimethylamino)propan-2-yl]-4-N-ethyl-6-propoxypyrimidine-4,5-diamine is CCCOc1ncnc(N(CC)C(C)CN(C)C)c1N.
What is the InChIKey of 4-N-[1-(dimethylamino)propan-2-yl]-4-N-ethyl-6-propoxypyrimidine-4,5-diamine?
The InChIKey is FOWFBOKQWLXHSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N5O/c1-6-8-20-14-12(15)13(16-10-17-14)19(7-2)11(3)9-18(4)5/h10-11H,6-9,15H2,1-5H3.
What are the key properties of 4-N-[1-(dimethylamino)propan-2-yl]-4-N-ethyl-6-propoxypyrimidine-4,5-diamine?
4-N-[1-(dimethylamino)propan-2-yl]-4-N-ethyl-6-propoxypyrimidine-4,5-diamine has a molecular weight of 281.40 g/mol, XLogP of 1.62, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[1-(dimethylamino)propan-2-yl]-4-N-ethyl-6-propoxypyrimidine-4,5-diamine is sourced from PubChem (CID 103187597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).