4-N-[2-(dimethylamino)ethyl]-5-methyl-6-N,2-dipropylpyrimidine-4,6-diamine

C15H29N5 — CID 80980867

IUPAC4-N-[2-(dimethylamino)ethyl]-5-methyl-6-N,2-dipropylpyrimidine-4,6-diamine
SMILESCCCNc1nc(CCC)nc(NCCN(C)C)c1C
InChIInChI=1S/C15H29N5/c1-6-8-13-18-14(16-9-7-2)12(3)15(19-13)17-10-11-20(4)5/h6-11H2,1-5H3,(H2,16,17,18,19)
InChIKeyVAUSWBYXBLYCRL-UHFFFAOYSA-N
MW279.43 g/mol
LogP2.53
Rot. Bonds9

About 4-N-[2-(dimethylamino)ethyl]-5-methyl-6-N,2-dipropylpyrimidine-4,6-diamine

4-N-[2-(dimethylamino)ethyl]-5-methyl-6-N,2-dipropylpyrimidine-4,6-diamine (PubChem CID 80980867) has the molecular formula C15H29N5 and a molecular weight of 279.43 g/mol. Its IUPAC name is 4-N-[2-(dimethylamino)ethyl]-5-methyl-6-N,2-dipropylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-[2-(dimethylamino)ethyl]-5-methyl-6-N,2-dipropylpyrimidine-4,6-diamine
PubChem CID80980867
Molecular FormulaC15H29N5
Molecular Weight279.43 g/mol
Exact Mass279.24
IUPAC Name4-N-[2-(dimethylamino)ethyl]-5-methyl-6-N,2-dipropylpyrimidine-4,6-diamine
SMILESCCCNc1nc(CCC)nc(NCCN(C)C)c1C
InChIInChI=1S/C15H29N5/c1-6-8-13-18-14(16-9-7-2)12(3)15(19-13)17-10-11-20(4)5/h6-11H2,1-5H3,(H2,16,17,18,19)
InChIKeyVAUSWBYXBLYCRL-UHFFFAOYSA-N
XLogP2.53
TPSA53.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.43
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-ethyl-4-N-[2-[ethyl(methyl)amino]ethyl]-5-methyl-6-N-propylpyrimidine-4,6-diamine
CID 80983333
N',N'-diethyl-N-(6-hydrazinyl-5-methyl-2-propylpyrimidin-4-yl)ethane-1,2-diamine
CID 81000696
4-N,5-dimethyl-4-N-(3-methylbutyl)-6-N,2-dipropylpyrimidine-4,6-diamine
CID 80987790
6-N,2-diethyl-5-methyl-4-N-propylpyrimidine-4,6-diamine
CID 80980725
4-N,5-dimethyl-4-N-pentan-2-yl-6-N,2-dipropylpyrimidine-4,6-diamine
CID 80986626
2-[[5-methyl-2-propyl-6-(propylamino)pyrimidin-4-yl]-propylamino]ethanol
CID 80987908
methyl 3-[[5-methyl-2-propyl-6-(propylamino)pyrimidin-4-yl]amino]propanoate
CID 80986480
2-methyl-3-[[5-methyl-2-propyl-6-(propylamino)pyrimidin-4-yl]amino]propane-1,2-diol
CID 80992097
4-N-cyclobutyl-5-methyl-6-N,2-dipropylpyrimidine-4,6-diamine
CID 80982309
5-methyl-4-N-[2-[methyl(propan-2-yl)amino]ethyl]-2-propylpyrimidine-4,6-diamine
CID 80983070
4-N-[2-(dimethylamino)ethyl]-6-propoxy-2-propylpyrimidine-4,5-diamine
CID 82456090
4-N-[2-(diethylamino)ethyl]-6-N,2-diethyl-5-methylpyrimidine-4,6-diamine
CID 80980989

Frequently Asked Questions

What is the IUPAC name of 4-N-[2-(dimethylamino)ethyl]-5-methyl-6-N,2-dipropylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-[2-(dimethylamino)ethyl]-5-methyl-6-N,2-dipropylpyrimidine-4,6-diamine (CID 80980867) is 4-N-[2-(dimethylamino)ethyl]-5-methyl-6-N,2-dipropylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-[2-(dimethylamino)ethyl]-5-methyl-6-N,2-dipropylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-[2-(dimethylamino)ethyl]-5-methyl-6-N,2-dipropylpyrimidine-4,6-diamine is CCCNc1nc(CCC)nc(NCCN(C)C)c1C.
What is the InChIKey of 4-N-[2-(dimethylamino)ethyl]-5-methyl-6-N,2-dipropylpyrimidine-4,6-diamine?
The InChIKey is VAUSWBYXBLYCRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N5/c1-6-8-13-18-14(16-9-7-2)12(3)15(19-13)17-10-11-20(4)5/h6-11H2,1-5H3,(H2,16,17,18,19).
What are the key properties of 4-N-[2-(dimethylamino)ethyl]-5-methyl-6-N,2-dipropylpyrimidine-4,6-diamine?
4-N-[2-(dimethylamino)ethyl]-5-methyl-6-N,2-dipropylpyrimidine-4,6-diamine has a molecular weight of 279.43 g/mol, XLogP of 2.53, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[2-(dimethylamino)ethyl]-5-methyl-6-N,2-dipropylpyrimidine-4,6-diamine is sourced from PubChem (CID 80980867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).