1-[1-[2-amino-6-(3,4-dimethoxyphenyl)pteridin-4-yl]piperazin-2-yl]propan-1-one

C21H25N7O3 — CID 69451906

IUPAC1-[1-[2-amino-6-(3,4-dimethoxyphenyl)pteridin-4-yl]piperazin-2-yl]propan-1-one
SMILESCCC(=O)C1CNCCN1c1nc(N)nc2ncc(-c3ccc(OC)c(OC)c3)nc12
InChIInChI=1S/C21H25N7O3/c1-4-15(29)14-11-23-7-8-28(14)20-18-19(26-21(22)27-20)24-10-13(25-18)12-5-6-16(30-2)17(9-12)31-3/h5-6,9-10,14,23H,4,7-8,11H2,1-3H3,(H2,22,24,26,27)
InChIKeyCHNGRBITYQUHQT-UHFFFAOYSA-N
MW423.48 g/mol
LogP1.44
Rot. Bonds6

About 1-[1-[2-amino-6-(3,4-dimethoxyphenyl)pteridin-4-yl]piperazin-2-yl]propan-1-one

1-[1-[2-amino-6-(3,4-dimethoxyphenyl)pteridin-4-yl]piperazin-2-yl]propan-1-one (PubChem CID 69451906) has the molecular formula C21H25N7O3 and a molecular weight of 423.48 g/mol. Its IUPAC name is 1-[1-[2-amino-6-(3,4-dimethoxyphenyl)pteridin-4-yl]piperazin-2-yl]propan-1-one.

Molecular Properties

Compound Name1-[1-[2-amino-6-(3,4-dimethoxyphenyl)pteridin-4-yl]piperazin-2-yl]propan-1-one
PubChem CID69451906
Molecular FormulaC21H25N7O3
Molecular Weight423.48 g/mol
Exact Mass423.20
IUPAC Name1-[1-[2-amino-6-(3,4-dimethoxyphenyl)pteridin-4-yl]piperazin-2-yl]propan-1-one
SMILESCCC(=O)C1CNCCN1c1nc(N)nc2ncc(-c3ccc(OC)c(OC)c3)nc12
InChIInChI=1S/C21H25N7O3/c1-4-15(29)14-11-23-7-8-28(14)20-18-19(26-21(22)27-20)24-10-13(25-18)12-5-6-16(30-2)17(9-12)31-3/h5-6,9-10,14,23H,4,7-8,11H2,1-3H3,(H2,22,24,26,27)
InChIKeyCHNGRBITYQUHQT-UHFFFAOYSA-N
XLogP1.44
TPSA128.38 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.48
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

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Related Compounds

4-[2-(3,5-dichlorophenyl)piperazin-1-yl]-6-(3,4-dimethoxyphenyl)pteridin-2-amine
CID 69452297
6-(3,4-dimethoxyphenyl)-4-[2-(naphthalen-1-ylmethyl)piperazin-1-yl]pteridin-2-amine
CID 69449995
1-[2-amino-6-(3,4-dimethoxyphenyl)pyrido[3,2-d]pyrimidin-4-yl]-N-thiophen-3-ylpiperazine-2-carboxamide
CID 68912822
4-[4-(2-aminopentyl)piperazin-1-yl]-6-(3,4-dimethoxyphenyl)pteridin-2-amine
CID 69461952
6-(3,4-dimethoxyphenyl)-4-(4-pentylpiperazin-1-yl)pteridin-2-amine
CID 69458973
(2-chlorophenyl) 4-[2-amino-6-(3,4-dimethoxyphenyl)pteridin-4-yl]piperazine-1-carboxylate
CID 11329883
4-(4-cyclopentylpiperazin-1-yl)-6-(3,4-dimethoxyphenyl)pteridin-2-amine
CID 11453334
(3-carbamoyl-2H-1,3-thiazol-2-yl) 2-[2-amino-6-(3,4-dimethoxyphenyl)pteridin-4-yl]-2-piperazin-1-ylacetate
CID 90713982
4-[4-[2-amino-6-(3,4-dimethoxyphenyl)pteridin-4-yl]piperazine-1-carbonyl]benzonitrile
CID 11785248
6-(3,4-dimethoxyphenyl)-4-[1-[(3-methylphenyl)methyl]piperazin-2-yl]pteridin-2-amine
CID 69452957
4-[2-amino-6-(3,4-dimethoxyphenyl)pteridin-4-yl]-N-methyl-N-phenylpiperazine-1-carboxamide
CID 11318021
6-(3,4-dimethoxyphenyl)-4-[4-(3-propylphenyl)piperazin-1-yl]pteridin-2-amine
CID 11752087

Frequently Asked Questions

What is the IUPAC name of 1-[1-[2-amino-6-(3,4-dimethoxyphenyl)pteridin-4-yl]piperazin-2-yl]propan-1-one?
The IUPAC name of 1-[1-[2-amino-6-(3,4-dimethoxyphenyl)pteridin-4-yl]piperazin-2-yl]propan-1-one (CID 69451906) is 1-[1-[2-amino-6-(3,4-dimethoxyphenyl)pteridin-4-yl]piperazin-2-yl]propan-1-one.
What is the SMILES notation for 1-[1-[2-amino-6-(3,4-dimethoxyphenyl)pteridin-4-yl]piperazin-2-yl]propan-1-one?
The canonical SMILES for 1-[1-[2-amino-6-(3,4-dimethoxyphenyl)pteridin-4-yl]piperazin-2-yl]propan-1-one is CCC(=O)C1CNCCN1c1nc(N)nc2ncc(-c3ccc(OC)c(OC)c3)nc12.
What is the InChIKey of 1-[1-[2-amino-6-(3,4-dimethoxyphenyl)pteridin-4-yl]piperazin-2-yl]propan-1-one?
The InChIKey is CHNGRBITYQUHQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N7O3/c1-4-15(29)14-11-23-7-8-28(14)20-18-19(26-21(22)27-20)24-10-13(25-18)12-5-6-16(30-2)17(9-12)31-3/h5-6,9-10,14,23H,4,7-8,11H2,1-3H3,(H2,22,24,26,27).
What are the key properties of 1-[1-[2-amino-6-(3,4-dimethoxyphenyl)pteridin-4-yl]piperazin-2-yl]propan-1-one?
1-[1-[2-amino-6-(3,4-dimethoxyphenyl)pteridin-4-yl]piperazin-2-yl]propan-1-one has a molecular weight of 423.48 g/mol, XLogP of 1.44, 6 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[2-amino-6-(3,4-dimethoxyphenyl)pteridin-4-yl]piperazin-2-yl]propan-1-one is sourced from PubChem (CID 69451906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).