methyl N-[4-[2-amino-4-(2-ethoxyethylamino)pyrido[3,2-d]pyrimidin-6-yl]phenyl]carbamate

C19H22N6O3 — CID 66810251

IUPACmethyl N-[4-[2-amino-4-(2-ethoxyethylamino)pyrido[3,2-d]pyrimidin-6-yl]phenyl]carbamate
SMILESCCOCCNc1nc(N)nc2ccc(-c3ccc(NC(=O)OC)cc3)nc12
InChIInChI=1S/C19H22N6O3/c1-3-28-11-10-21-17-16-15(24-18(20)25-17)9-8-14(23-16)12-4-6-13(7-5-12)22-19(26)27-2/h4-9H,3,10-11H2,1-2H3,(H,22,26)(H3,20,21,24,25)
InChIKeyWHTNGDWQJSCPRA-UHFFFAOYSA-N
MW382.42 g/mol
LogP2.90
Rot. Bonds7

About methyl N-[4-[2-amino-4-(2-ethoxyethylamino)pyrido[3,2-d]pyrimidin-6-yl]phenyl]carbamate

methyl N-[4-[2-amino-4-(2-ethoxyethylamino)pyrido[3,2-d]pyrimidin-6-yl]phenyl]carbamate (PubChem CID 66810251) has the molecular formula C19H22N6O3 and a molecular weight of 382.42 g/mol. Its IUPAC name is methyl N-[4-[2-amino-4-(2-ethoxyethylamino)pyrido[3,2-d]pyrimidin-6-yl]phenyl]carbamate.

Molecular Properties

Compound Namemethyl N-[4-[2-amino-4-(2-ethoxyethylamino)pyrido[3,2-d]pyrimidin-6-yl]phenyl]carbamate
PubChem CID66810251
Molecular FormulaC19H22N6O3
Molecular Weight382.42 g/mol
Exact Mass382.18
IUPAC Namemethyl N-[4-[2-amino-4-(2-ethoxyethylamino)pyrido[3,2-d]pyrimidin-6-yl]phenyl]carbamate
SMILESCCOCCNc1nc(N)nc2ccc(-c3ccc(NC(=O)OC)cc3)nc12
InChIInChI=1S/C19H22N6O3/c1-3-28-11-10-21-17-16-15(24-18(20)25-17)9-8-14(23-16)12-4-6-13(7-5-12)22-19(26)27-2/h4-9H,3,10-11H2,1-2H3,(H,22,26)(H3,20,21,24,25)
InChIKeyWHTNGDWQJSCPRA-UHFFFAOYSA-N
XLogP2.90
TPSA124.28 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.42
LogP ≤ 52.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

6-(4-fluorophenyl)-4-N-(2-methoxyethyl)pyrido[3,2-d]pyrimidine-2,4-diamine
CID 69081048
4-[2-amino-4-(3-methoxypropylamino)pyrido[3,2-d]pyrimidin-6-yl]-N-cyclopropylbenzamide
CID 66810336
6-(4-fluorophenyl)-4-N-pentylpyrido[3,2-d]pyrimidine-2,4-diamine
CID 69095647
1-amino-N-[4-(2-amino-4-ethoxypyrido[3,2-d]pyrimidin-6-yl)phenyl]cyclopropane-1-carboxamide
CID 24958891
2-amino-4-(2-ethoxyethylamino)-6H-pyrido[4,3-d]pyrimidin-5-one
CID 170186114
[4-[4-ethoxy-2-[(4-fluorophenyl)methylamino]pyrido[3,2-d]pyrimidin-6-yl]phenyl]urea
CID 24962201
2-amino-4-(2-ethoxyethylamino)benzoic acid
CID 104500034
2-ethoxyethyl N-(4-methylphenyl)carbamate
CID 4614670
methyl N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]carbamate
CID 108727310
6-(4-fluorophenyl)-4-(2-methoxyethoxy)pyrido[3,2-d]pyrimidin-2-amine
CID 59199210
6-(3,4-dimethoxyphenyl)-4-N-(3-ethoxyphenyl)pyrido[3,2-d]pyrimidine-2,4-diamine
CID 68912324
4-N-(3-ethoxypropyl)quinazoline-2,4-diamine
CID 80773022

Frequently Asked Questions

What is the IUPAC name of methyl N-[4-[2-amino-4-(2-ethoxyethylamino)pyrido[3,2-d]pyrimidin-6-yl]phenyl]carbamate?
The IUPAC name of methyl N-[4-[2-amino-4-(2-ethoxyethylamino)pyrido[3,2-d]pyrimidin-6-yl]phenyl]carbamate (CID 66810251) is methyl N-[4-[2-amino-4-(2-ethoxyethylamino)pyrido[3,2-d]pyrimidin-6-yl]phenyl]carbamate.
What is the SMILES notation for methyl N-[4-[2-amino-4-(2-ethoxyethylamino)pyrido[3,2-d]pyrimidin-6-yl]phenyl]carbamate?
The canonical SMILES for methyl N-[4-[2-amino-4-(2-ethoxyethylamino)pyrido[3,2-d]pyrimidin-6-yl]phenyl]carbamate is CCOCCNc1nc(N)nc2ccc(-c3ccc(NC(=O)OC)cc3)nc12.
What is the InChIKey of methyl N-[4-[2-amino-4-(2-ethoxyethylamino)pyrido[3,2-d]pyrimidin-6-yl]phenyl]carbamate?
The InChIKey is WHTNGDWQJSCPRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N6O3/c1-3-28-11-10-21-17-16-15(24-18(20)25-17)9-8-14(23-16)12-4-6-13(7-5-12)22-19(26)27-2/h4-9H,3,10-11H2,1-2H3,(H,22,26)(H3,20,21,24,25).
What are the key properties of methyl N-[4-[2-amino-4-(2-ethoxyethylamino)pyrido[3,2-d]pyrimidin-6-yl]phenyl]carbamate?
methyl N-[4-[2-amino-4-(2-ethoxyethylamino)pyrido[3,2-d]pyrimidin-6-yl]phenyl]carbamate has a molecular weight of 382.42 g/mol, XLogP of 2.90, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[4-[2-amino-4-(2-ethoxyethylamino)pyrido[3,2-d]pyrimidin-6-yl]phenyl]carbamate is sourced from PubChem (CID 66810251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).