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

C19H20N6O2 — CID 24958891

IUPAC1-amino-N-[4-(2-amino-4-ethoxypyrido[3,2-d]pyrimidin-6-yl)phenyl]cyclopropane-1-carboxamide
SMILESCCOc1nc(N)nc2ccc(-c3ccc(NC(=O)C4(N)CC4)cc3)nc12
InChIInChI=1S/C19H20N6O2/c1-2-27-16-15-14(24-18(20)25-16)8-7-13(23-15)11-3-5-12(6-4-11)22-17(26)19(21)9-10-19/h3-8H,2,9-10,21H2,1H3,(H,22,26)(H2,20,24,25)
InChIKeyQCIWAKSXMUQNNK-UHFFFAOYSA-N
MW364.41 g/mol
LogP2.10
Rot. Bonds5

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

1-amino-N-[4-(2-amino-4-ethoxypyrido[3,2-d]pyrimidin-6-yl)phenyl]cyclopropane-1-carboxamide (PubChem CID 24958891) has the molecular formula C19H20N6O2 and a molecular weight of 364.41 g/mol. Its IUPAC name is 1-amino-N-[4-(2-amino-4-ethoxypyrido[3,2-d]pyrimidin-6-yl)phenyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-amino-N-[4-(2-amino-4-ethoxypyrido[3,2-d]pyrimidin-6-yl)phenyl]cyclopropane-1-carboxamide
PubChem CID24958891
Molecular FormulaC19H20N6O2
Molecular Weight364.41 g/mol
Exact Mass364.16
IUPAC Name1-amino-N-[4-(2-amino-4-ethoxypyrido[3,2-d]pyrimidin-6-yl)phenyl]cyclopropane-1-carboxamide
SMILESCCOc1nc(N)nc2ccc(-c3ccc(NC(=O)C4(N)CC4)cc3)nc12
InChIInChI=1S/C19H20N6O2/c1-2-27-16-15-14(24-18(20)25-16)8-7-13(23-15)11-3-5-12(6-4-11)22-17(26)19(21)9-10-19/h3-8H,2,9-10,21H2,1H3,(H,22,26)(H2,20,24,25)
InChIKeyQCIWAKSXMUQNNK-UHFFFAOYSA-N
XLogP2.10
TPSA129.04 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.41
LogP ≤ 52.10
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)phenyl]cyclopropane-1-carboxamide?
The IUPAC name of 1-amino-N-[4-(2-amino-4-ethoxypyrido[3,2-d]pyrimidin-6-yl)phenyl]cyclopropane-1-carboxamide (CID 24958891) is 1-amino-N-[4-(2-amino-4-ethoxypyrido[3,2-d]pyrimidin-6-yl)phenyl]cyclopropane-1-carboxamide.
What is the SMILES notation for 1-amino-N-[4-(2-amino-4-ethoxypyrido[3,2-d]pyrimidin-6-yl)phenyl]cyclopropane-1-carboxamide?
The canonical SMILES for 1-amino-N-[4-(2-amino-4-ethoxypyrido[3,2-d]pyrimidin-6-yl)phenyl]cyclopropane-1-carboxamide is CCOc1nc(N)nc2ccc(-c3ccc(NC(=O)C4(N)CC4)cc3)nc12.
What is the InChIKey of 1-amino-N-[4-(2-amino-4-ethoxypyrido[3,2-d]pyrimidin-6-yl)phenyl]cyclopropane-1-carboxamide?
The InChIKey is QCIWAKSXMUQNNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N6O2/c1-2-27-16-15-14(24-18(20)25-16)8-7-13(23-15)11-3-5-12(6-4-11)22-17(26)19(21)9-10-19/h3-8H,2,9-10,21H2,1H3,(H,22,26)(H2,20,24,25).
What are the key properties of 1-amino-N-[4-(2-amino-4-ethoxypyrido[3,2-d]pyrimidin-6-yl)phenyl]cyclopropane-1-carboxamide?
1-amino-N-[4-(2-amino-4-ethoxypyrido[3,2-d]pyrimidin-6-yl)phenyl]cyclopropane-1-carboxamide has a molecular weight of 364.41 g/mol, XLogP of 2.10, 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)phenyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 24958891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).