1-amino-N-[4-(2-amino-4-ethoxypyrido[3,2-d]pyrimidin-6-yl)-2-fluorophenyl]cyclopropane-1-carboxamide

C19H19FN6O2 — CID 24958525

IUPAC1-amino-N-[4-(2-amino-4-ethoxypyrido[3,2-d]pyrimidin-6-yl)-2-fluorophenyl]cyclopropane-1-carboxamide
SMILESCCOc1nc(N)nc2ccc(-c3ccc(NC(=O)C4(N)CC4)c(F)c3)nc12
InChIInChI=1S/C19H19FN6O2/c1-2-28-16-15-14(25-18(21)26-16)6-5-12(23-15)10-3-4-13(11(20)9-10)24-17(27)19(22)7-8-19/h3-6,9H,2,7-8,22H2,1H3,(H,24,27)(H2,21,25,26)
InChIKeyVYGZITHEBOSPPJ-UHFFFAOYSA-N
MW382.40 g/mol
LogP2.24
Rot. Bonds5

About 1-amino-N-[4-(2-amino-4-ethoxypyrido[3,2-d]pyrimidin-6-yl)-2-fluorophenyl]cyclopropane-1-carboxamide

1-amino-N-[4-(2-amino-4-ethoxypyrido[3,2-d]pyrimidin-6-yl)-2-fluorophenyl]cyclopropane-1-carboxamide (PubChem CID 24958525) has the molecular formula C19H19FN6O2 and a molecular weight of 382.40 g/mol. Its IUPAC name is 1-amino-N-[4-(2-amino-4-ethoxypyrido[3,2-d]pyrimidin-6-yl)-2-fluorophenyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-amino-N-[4-(2-amino-4-ethoxypyrido[3,2-d]pyrimidin-6-yl)-2-fluorophenyl]cyclopropane-1-carboxamide
PubChem CID24958525
Molecular FormulaC19H19FN6O2
Molecular Weight382.40 g/mol
Exact Mass382.16
IUPAC Name1-amino-N-[4-(2-amino-4-ethoxypyrido[3,2-d]pyrimidin-6-yl)-2-fluorophenyl]cyclopropane-1-carboxamide
SMILESCCOc1nc(N)nc2ccc(-c3ccc(NC(=O)C4(N)CC4)c(F)c3)nc12
InChIInChI=1S/C19H19FN6O2/c1-2-28-16-15-14(25-18(21)26-16)6-5-12(23-15)10-3-4-13(11(20)9-10)24-17(27)19(22)7-8-19/h3-6,9H,2,7-8,22H2,1H3,(H,24,27)(H2,21,25,26)
InChIKeyVYGZITHEBOSPPJ-UHFFFAOYSA-N
XLogP2.24
TPSA129.04 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.40
LogP ≤ 52.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-amino-N-[4-(2-amino-4-ethoxypyrido[3,2-d]pyrimidin-6-yl)-2-fluorophenyl]cyclopropane-1-carboxamide?
The IUPAC name of 1-amino-N-[4-(2-amino-4-ethoxypyrido[3,2-d]pyrimidin-6-yl)-2-fluorophenyl]cyclopropane-1-carboxamide (CID 24958525) is 1-amino-N-[4-(2-amino-4-ethoxypyrido[3,2-d]pyrimidin-6-yl)-2-fluorophenyl]cyclopropane-1-carboxamide.
What is the SMILES notation for 1-amino-N-[4-(2-amino-4-ethoxypyrido[3,2-d]pyrimidin-6-yl)-2-fluorophenyl]cyclopropane-1-carboxamide?
The canonical SMILES for 1-amino-N-[4-(2-amino-4-ethoxypyrido[3,2-d]pyrimidin-6-yl)-2-fluorophenyl]cyclopropane-1-carboxamide is CCOc1nc(N)nc2ccc(-c3ccc(NC(=O)C4(N)CC4)c(F)c3)nc12.
What is the InChIKey of 1-amino-N-[4-(2-amino-4-ethoxypyrido[3,2-d]pyrimidin-6-yl)-2-fluorophenyl]cyclopropane-1-carboxamide?
The InChIKey is VYGZITHEBOSPPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN6O2/c1-2-28-16-15-14(25-18(21)26-16)6-5-12(23-15)10-3-4-13(11(20)9-10)24-17(27)19(22)7-8-19/h3-6,9H,2,7-8,22H2,1H3,(H,24,27)(H2,21,25,26).
What are the key properties of 1-amino-N-[4-(2-amino-4-ethoxypyrido[3,2-d]pyrimidin-6-yl)-2-fluorophenyl]cyclopropane-1-carboxamide?
1-amino-N-[4-(2-amino-4-ethoxypyrido[3,2-d]pyrimidin-6-yl)-2-fluorophenyl]cyclopropane-1-carboxamide has a molecular weight of 382.40 g/mol, XLogP of 2.24, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-[4-(2-amino-4-ethoxypyrido[3,2-d]pyrimidin-6-yl)-2-fluorophenyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 24958525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).