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

C15H29N5 — CID 80816858

IUPAC4-N-[2-(dimethylamino)ethyl]-6-methyl-2-N,4-N-dipropylpyrimidine-2,4-diamine
SMILESCCCNc1nc(C)cc(N(CCC)CCN(C)C)n1
InChIInChI=1S/C15H29N5/c1-6-8-16-15-17-13(3)12-14(18-15)20(9-7-2)11-10-19(4)5/h12H,6-11H2,1-5H3,(H,16,17,18)
InChIKeyGQZNUWCIMKUSAU-UHFFFAOYSA-N
MW279.43 g/mol
LogP2.38
Rot. Bonds9

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

4-N-[2-(dimethylamino)ethyl]-6-methyl-2-N,4-N-dipropylpyrimidine-2,4-diamine (PubChem CID 80816858) has the molecular formula C15H29N5 and a molecular weight of 279.43 g/mol. Its IUPAC name is 4-N-[2-(dimethylamino)ethyl]-6-methyl-2-N,4-N-dipropylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-[2-(dimethylamino)ethyl]-6-methyl-2-N,4-N-dipropylpyrimidine-2,4-diamine
PubChem CID80816858
Molecular FormulaC15H29N5
Molecular Weight279.43 g/mol
Exact Mass279.24
IUPAC Name4-N-[2-(dimethylamino)ethyl]-6-methyl-2-N,4-N-dipropylpyrimidine-2,4-diamine
SMILESCCCNc1nc(C)cc(N(CCC)CCN(C)C)n1
InChIInChI=1S/C15H29N5/c1-6-8-16-15-17-13(3)12-14(18-15)20(9-7-2)11-10-19(4)5/h12H,6-11H2,1-5H3,(H,16,17,18)
InChIKeyGQZNUWCIMKUSAU-UHFFFAOYSA-N
XLogP2.38
TPSA44.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.43
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-N-[2-(dimethylamino)ethyl]-6-methyl-2-N,4-N-dipropylpyrimidine-2,4-diamine?
The IUPAC name of 4-N-[2-(dimethylamino)ethyl]-6-methyl-2-N,4-N-dipropylpyrimidine-2,4-diamine (CID 80816858) is 4-N-[2-(dimethylamino)ethyl]-6-methyl-2-N,4-N-dipropylpyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-[2-(dimethylamino)ethyl]-6-methyl-2-N,4-N-dipropylpyrimidine-2,4-diamine?
The canonical SMILES for 4-N-[2-(dimethylamino)ethyl]-6-methyl-2-N,4-N-dipropylpyrimidine-2,4-diamine is CCCNc1nc(C)cc(N(CCC)CCN(C)C)n1.
What is the InChIKey of 4-N-[2-(dimethylamino)ethyl]-6-methyl-2-N,4-N-dipropylpyrimidine-2,4-diamine?
The InChIKey is GQZNUWCIMKUSAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N5/c1-6-8-16-15-17-13(3)12-14(18-15)20(9-7-2)11-10-19(4)5/h12H,6-11H2,1-5H3,(H,16,17,18).
What are the key properties of 4-N-[2-(dimethylamino)ethyl]-6-methyl-2-N,4-N-dipropylpyrimidine-2,4-diamine?
4-N-[2-(dimethylamino)ethyl]-6-methyl-2-N,4-N-dipropylpyrimidine-2,4-diamine has a molecular weight of 279.43 g/mol, XLogP of 2.38, 9 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]-6-methyl-2-N,4-N-dipropylpyrimidine-2,4-diamine is sourced from PubChem (CID 80816858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).