4-N-[2-(dimethylamino)ethyl]-2-ethyl-4-N-methyl-6-N-propylpyrimidine-4,6-diamine

C14H27N5 — CID 80935287

IUPAC4-N-[2-(dimethylamino)ethyl]-2-ethyl-4-N-methyl-6-N-propylpyrimidine-4,6-diamine
SMILESCCCNc1cc(N(C)CCN(C)C)nc(CC)n1
InChIInChI=1S/C14H27N5/c1-6-8-15-13-11-14(17-12(7-2)16-13)19(5)10-9-18(3)4/h11H,6-10H2,1-5H3,(H,15,16,17)
InChIKeyBNSYHOKVADVIJG-UHFFFAOYSA-N
MW265.40 g/mol
LogP1.86
Rot. Bonds8

About 4-N-[2-(dimethylamino)ethyl]-2-ethyl-4-N-methyl-6-N-propylpyrimidine-4,6-diamine

4-N-[2-(dimethylamino)ethyl]-2-ethyl-4-N-methyl-6-N-propylpyrimidine-4,6-diamine (PubChem CID 80935287) has the molecular formula C14H27N5 and a molecular weight of 265.40 g/mol. Its IUPAC name is 4-N-[2-(dimethylamino)ethyl]-2-ethyl-4-N-methyl-6-N-propylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-[2-(dimethylamino)ethyl]-2-ethyl-4-N-methyl-6-N-propylpyrimidine-4,6-diamine
PubChem CID80935287
Molecular FormulaC14H27N5
Molecular Weight265.40 g/mol
Exact Mass265.23
IUPAC Name4-N-[2-(dimethylamino)ethyl]-2-ethyl-4-N-methyl-6-N-propylpyrimidine-4,6-diamine
SMILESCCCNc1cc(N(C)CCN(C)C)nc(CC)n1
InChIInChI=1S/C14H27N5/c1-6-8-15-13-11-14(17-12(7-2)16-13)19(5)10-9-18(3)4/h11H,6-10H2,1-5H3,(H,15,16,17)
InChIKeyBNSYHOKVADVIJG-UHFFFAOYSA-N
XLogP1.86
TPSA44.29 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 ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-N-butyl-2-ethyl-4-N-methyl-6-N-propylpyrimidine-4,6-diamine
CID 80933822
4-N-(2-ethoxyethyl)-2-ethyl-4-N-methyl-6-N-propylpyrimidine-4,6-diamine
CID 81068419
2-ethyl-4-N-methyl-4-N-propan-2-yl-6-N-propylpyrimidine-4,6-diamine
CID 80933924
4-N-methyl-4-N-(3-methylbutyl)-6-N,2-dipropylpyrimidine-4,6-diamine
CID 80954589
4-N-(2-methoxyethyl)-4-N-methyl-6-N,2-dipropylpyrimidine-4,6-diamine
CID 80954731
3-[methyl-[2-propyl-6-(propylamino)pyrimidin-4-yl]amino]propanenitrile
CID 80945818
4-N-[(5-chlorothiophen-2-yl)methyl]-2-ethyl-4-N-methyl-6-N-propylpyrimidine-4,6-diamine
CID 80939996
4-N-[2-(dimethylamino)ethyl]-2-ethyl-6-N-methylpyrimidine-4,6-diamine
CID 80933851
2-ethyl-4-N,6-N-dimethyl-4-N-pentylpyrimidine-4,6-diamine
CID 80933276
6-N,2-diethyl-4-N-methyl-4-N-(3,3,3-trifluoropropyl)pyrimidine-4,6-diamine
CID 80942506
2-cyclopropyl-4-N-[3-(dimethylamino)propyl]-4-N-methyl-6-N-propylpyrimidine-4,6-diamine
CID 80959411
3-[[2-ethyl-6-(propylamino)pyrimidin-4-yl]-(2-methylpropyl)amino]propanenitrile
CID 80940313

Frequently Asked Questions

What is the IUPAC name of 4-N-[2-(dimethylamino)ethyl]-2-ethyl-4-N-methyl-6-N-propylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-[2-(dimethylamino)ethyl]-2-ethyl-4-N-methyl-6-N-propylpyrimidine-4,6-diamine (CID 80935287) is 4-N-[2-(dimethylamino)ethyl]-2-ethyl-4-N-methyl-6-N-propylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-[2-(dimethylamino)ethyl]-2-ethyl-4-N-methyl-6-N-propylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-[2-(dimethylamino)ethyl]-2-ethyl-4-N-methyl-6-N-propylpyrimidine-4,6-diamine is CCCNc1cc(N(C)CCN(C)C)nc(CC)n1.
What is the InChIKey of 4-N-[2-(dimethylamino)ethyl]-2-ethyl-4-N-methyl-6-N-propylpyrimidine-4,6-diamine?
The InChIKey is BNSYHOKVADVIJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N5/c1-6-8-15-13-11-14(17-12(7-2)16-13)19(5)10-9-18(3)4/h11H,6-10H2,1-5H3,(H,15,16,17).
What are the key properties of 4-N-[2-(dimethylamino)ethyl]-2-ethyl-4-N-methyl-6-N-propylpyrimidine-4,6-diamine?
4-N-[2-(dimethylamino)ethyl]-2-ethyl-4-N-methyl-6-N-propylpyrimidine-4,6-diamine has a molecular weight of 265.40 g/mol, XLogP of 1.86, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[2-(dimethylamino)ethyl]-2-ethyl-4-N-methyl-6-N-propylpyrimidine-4,6-diamine is sourced from PubChem (CID 80935287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).