4-butan-2-yloxy-6-(3,4-dimethoxyphenyl)pyrido[2,3-d]pyrimidin-2-amine;hydrochloride

C19H23ClN4O3 — CID 11996837

IUPAC4-butan-2-yloxy-6-(3,4-dimethoxyphenyl)pyrido[2,3-d]pyrimidin-2-amine;hydrochloride
SMILESCCC(C)Oc1nc(N)nc2ncc(-c3ccc(OC)c(OC)c3)cc12.Cl
InChIInChI=1S/C19H22N4O3.ClH/c1-5-11(2)26-18-14-8-13(10-21-17(14)22-19(20)23-18)12-6-7-15(24-3)16(9-12)25-4;/h6-11H,5H2,1-4H3,(H2,20,21,22,23);1H
InChIKeyYVSXQUDXNKIXPT-UHFFFAOYSA-N
MW390.87 g/mol
LogP3.89
Rot. Bonds6

About 4-butan-2-yloxy-6-(3,4-dimethoxyphenyl)pyrido[2,3-d]pyrimidin-2-amine;hydrochloride

4-butan-2-yloxy-6-(3,4-dimethoxyphenyl)pyrido[2,3-d]pyrimidin-2-amine;hydrochloride (PubChem CID 11996837) has the molecular formula C19H23ClN4O3 and a molecular weight of 390.87 g/mol. Its IUPAC name is 4-butan-2-yloxy-6-(3,4-dimethoxyphenyl)pyrido[2,3-d]pyrimidin-2-amine;hydrochloride.

Molecular Properties

Compound Name4-butan-2-yloxy-6-(3,4-dimethoxyphenyl)pyrido[2,3-d]pyrimidin-2-amine;hydrochloride
PubChem CID11996837
Molecular FormulaC19H23ClN4O3
Molecular Weight390.87 g/mol
Exact Mass390.15
IUPAC Name4-butan-2-yloxy-6-(3,4-dimethoxyphenyl)pyrido[2,3-d]pyrimidin-2-amine;hydrochloride
SMILESCCC(C)Oc1nc(N)nc2ncc(-c3ccc(OC)c(OC)c3)cc12.Cl
InChIInChI=1S/C19H22N4O3.ClH/c1-5-11(2)26-18-14-8-13(10-21-17(14)22-19(20)23-18)12-6-7-15(24-3)16(9-12)25-4;/h6-11H,5H2,1-4H3,(H2,20,21,22,23);1H
InChIKeyYVSXQUDXNKIXPT-UHFFFAOYSA-N
XLogP3.89
TPSA92.38 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.87
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

6-(3,4-dimethylphenyl)-4-propan-2-yloxypyrido[2,3-d]pyrimidin-2-amine
CID 11996838
6-(3,4-dimethoxyphenyl)-4-N-(2-methoxy-5-methylphenyl)pyrido[2,3-d]pyrimidine-2,4-diamine
CID 68921020
6-(3,4-dimethoxyphenyl)-4-morpholin-4-ylpyrido[2,3-d]pyrimidin-2-amine
CID 11996073
4-N-[(2S)-butan-2-yl]-6-(3,4-dimethoxyphenyl)pteridine-2,4-diamine
CID 11164068
6-(3,4-dimethoxyphenyl)-4-phenylmethoxyquinazolin-2-amine
CID 24961708
6-(4-methoxy-3-methylphenyl)-4-propan-2-yloxypteridin-2-amine
CID 11404593
5-(3,4-dimethoxyphenyl)-3-(4-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridine
CID 164627590
2-chloro-5-(3,4-dimethoxyphenyl)pyridin-3-amine
CID 42281401
5-bromo-3-(3,4-dimethoxyphenyl)pyrazin-2-amine
CID 86000885
4-ethoxy-6-(3,4,5-trimethoxyphenyl)pteridin-2-amine
CID 68777622
5-(3,4-dimethoxyphenyl)-2-(3,4,5-trimethoxyphenyl)pyridine
CID 90670581
5-(3,4-dimethoxyphenyl)-N-ethylpyrimidin-2-amine
CID 116977083

Frequently Asked Questions

What is the IUPAC name of 4-butan-2-yloxy-6-(3,4-dimethoxyphenyl)pyrido[2,3-d]pyrimidin-2-amine;hydrochloride?
The IUPAC name of 4-butan-2-yloxy-6-(3,4-dimethoxyphenyl)pyrido[2,3-d]pyrimidin-2-amine;hydrochloride (CID 11996837) is 4-butan-2-yloxy-6-(3,4-dimethoxyphenyl)pyrido[2,3-d]pyrimidin-2-amine;hydrochloride.
What is the SMILES notation for 4-butan-2-yloxy-6-(3,4-dimethoxyphenyl)pyrido[2,3-d]pyrimidin-2-amine;hydrochloride?
The canonical SMILES for 4-butan-2-yloxy-6-(3,4-dimethoxyphenyl)pyrido[2,3-d]pyrimidin-2-amine;hydrochloride is CCC(C)Oc1nc(N)nc2ncc(-c3ccc(OC)c(OC)c3)cc12.Cl.
What is the InChIKey of 4-butan-2-yloxy-6-(3,4-dimethoxyphenyl)pyrido[2,3-d]pyrimidin-2-amine;hydrochloride?
The InChIKey is YVSXQUDXNKIXPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O3.ClH/c1-5-11(2)26-18-14-8-13(10-21-17(14)22-19(20)23-18)12-6-7-15(24-3)16(9-12)25-4;/h6-11H,5H2,1-4H3,(H2,20,21,22,23);1H.
What are the key properties of 4-butan-2-yloxy-6-(3,4-dimethoxyphenyl)pyrido[2,3-d]pyrimidin-2-amine;hydrochloride?
4-butan-2-yloxy-6-(3,4-dimethoxyphenyl)pyrido[2,3-d]pyrimidin-2-amine;hydrochloride has a molecular weight of 390.87 g/mol, XLogP of 3.89, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butan-2-yloxy-6-(3,4-dimethoxyphenyl)pyrido[2,3-d]pyrimidin-2-amine;hydrochloride is sourced from PubChem (CID 11996837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).