6-(2-aminopyrimidin-5-yl)-4-ethoxy-N-[(4-fluorophenyl)methyl]pyrido[3,2-d]pyrimidin-2-amine

C20H18FN7O — CID 69319740

IUPAC6-(2-aminopyrimidin-5-yl)-4-ethoxy-N-[(4-fluorophenyl)methyl]pyrido[3,2-d]pyrimidin-2-amine
SMILESCCOc1nc(NCc2ccc(F)cc2)nc2ccc(-c3cnc(N)nc3)nc12
InChIInChI=1S/C20H18FN7O/c1-2-29-18-17-16(8-7-15(26-17)13-10-23-19(22)24-11-13)27-20(28-18)25-9-12-3-5-14(21)6-4-12/h3-8,10-11H,2,9H2,1H3,(H2,22,23,24)(H,25,27,28)
InChIKeyTVQNTDZGRYINOO-UHFFFAOYSA-N
MW391.41 g/mol
LogP3.21
Rot. Bonds6

About 6-(2-aminopyrimidin-5-yl)-4-ethoxy-N-[(4-fluorophenyl)methyl]pyrido[3,2-d]pyrimidin-2-amine

6-(2-aminopyrimidin-5-yl)-4-ethoxy-N-[(4-fluorophenyl)methyl]pyrido[3,2-d]pyrimidin-2-amine (PubChem CID 69319740) has the molecular formula C20H18FN7O and a molecular weight of 391.41 g/mol. Its IUPAC name is 6-(2-aminopyrimidin-5-yl)-4-ethoxy-N-[(4-fluorophenyl)methyl]pyrido[3,2-d]pyrimidin-2-amine.

Molecular Properties

Compound Name6-(2-aminopyrimidin-5-yl)-4-ethoxy-N-[(4-fluorophenyl)methyl]pyrido[3,2-d]pyrimidin-2-amine
PubChem CID69319740
Molecular FormulaC20H18FN7O
Molecular Weight391.41 g/mol
Exact Mass391.16
IUPAC Name6-(2-aminopyrimidin-5-yl)-4-ethoxy-N-[(4-fluorophenyl)methyl]pyrido[3,2-d]pyrimidin-2-amine
SMILESCCOc1nc(NCc2ccc(F)cc2)nc2ccc(-c3cnc(N)nc3)nc12
InChIInChI=1S/C20H18FN7O/c1-2-29-18-17-16(8-7-15(26-17)13-10-23-19(22)24-11-13)27-20(28-18)25-9-12-3-5-14(21)6-4-12/h3-8,10-11H,2,9H2,1H3,(H2,22,23,24)(H,25,27,28)
InChIKeyTVQNTDZGRYINOO-UHFFFAOYSA-N
XLogP3.21
TPSA111.73 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.41
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 6-(2-aminopyrimidin-5-yl)-4-ethoxy-N-[(4-fluorophenyl)methyl]pyrido[3,2-d]pyrimidin-2-amine?
The IUPAC name of 6-(2-aminopyrimidin-5-yl)-4-ethoxy-N-[(4-fluorophenyl)methyl]pyrido[3,2-d]pyrimidin-2-amine (CID 69319740) is 6-(2-aminopyrimidin-5-yl)-4-ethoxy-N-[(4-fluorophenyl)methyl]pyrido[3,2-d]pyrimidin-2-amine.
What is the SMILES notation for 6-(2-aminopyrimidin-5-yl)-4-ethoxy-N-[(4-fluorophenyl)methyl]pyrido[3,2-d]pyrimidin-2-amine?
The canonical SMILES for 6-(2-aminopyrimidin-5-yl)-4-ethoxy-N-[(4-fluorophenyl)methyl]pyrido[3,2-d]pyrimidin-2-amine is CCOc1nc(NCc2ccc(F)cc2)nc2ccc(-c3cnc(N)nc3)nc12.
What is the InChIKey of 6-(2-aminopyrimidin-5-yl)-4-ethoxy-N-[(4-fluorophenyl)methyl]pyrido[3,2-d]pyrimidin-2-amine?
The InChIKey is TVQNTDZGRYINOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FN7O/c1-2-29-18-17-16(8-7-15(26-17)13-10-23-19(22)24-11-13)27-20(28-18)25-9-12-3-5-14(21)6-4-12/h3-8,10-11H,2,9H2,1H3,(H2,22,23,24)(H,25,27,28).
What are the key properties of 6-(2-aminopyrimidin-5-yl)-4-ethoxy-N-[(4-fluorophenyl)methyl]pyrido[3,2-d]pyrimidin-2-amine?
6-(2-aminopyrimidin-5-yl)-4-ethoxy-N-[(4-fluorophenyl)methyl]pyrido[3,2-d]pyrimidin-2-amine has a molecular weight of 391.41 g/mol, XLogP of 3.21, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-aminopyrimidin-5-yl)-4-ethoxy-N-[(4-fluorophenyl)methyl]pyrido[3,2-d]pyrimidin-2-amine is sourced from PubChem (CID 69319740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).