1-[2-amino-6-(3-methoxyphenyl)pyrido[2,3-d]pyrimidin-7-yl]-3-tert-butylurea

C19H22N6O2 — CID 5329128

IUPAC1-[2-amino-6-(3-methoxyphenyl)pyrido[2,3-d]pyrimidin-7-yl]-3-tert-butylurea
SMILESCOc1cccc(-c2cc3cnc(N)nc3nc2NC(=O)NC(C)(C)C)c1
InChIInChI=1S/C19H22N6O2/c1-19(2,3)25-18(26)24-16-14(11-6-5-7-13(8-11)27-4)9-12-10-21-17(20)23-15(12)22-16/h5-10H,1-4H3,(H4,20,21,22,23,24,25,26)
InChIKeyDXAXMTYXAGATCT-UHFFFAOYSA-N
MW366.43 g/mol
LogP3.20
Rot. Bonds3

About 1-[2-amino-6-(3-methoxyphenyl)pyrido[2,3-d]pyrimidin-7-yl]-3-tert-butylurea

1-[2-amino-6-(3-methoxyphenyl)pyrido[2,3-d]pyrimidin-7-yl]-3-tert-butylurea (PubChem CID 5329128) has the molecular formula C19H22N6O2 and a molecular weight of 366.43 g/mol. Its IUPAC name is 1-[2-amino-6-(3-methoxyphenyl)pyrido[2,3-d]pyrimidin-7-yl]-3-tert-butylurea.

Molecular Properties

Compound Name1-[2-amino-6-(3-methoxyphenyl)pyrido[2,3-d]pyrimidin-7-yl]-3-tert-butylurea
PubChem CID5329128
Molecular FormulaC19H22N6O2
Molecular Weight366.43 g/mol
Exact Mass366.18
IUPAC Name1-[2-amino-6-(3-methoxyphenyl)pyrido[2,3-d]pyrimidin-7-yl]-3-tert-butylurea
SMILESCOc1cccc(-c2cc3cnc(N)nc3nc2NC(=O)NC(C)(C)C)c1
InChIInChI=1S/C19H22N6O2/c1-19(2,3)25-18(26)24-16-14(11-6-5-7-13(8-11)27-4)9-12-10-21-17(20)23-15(12)22-16/h5-10H,1-4H3,(H4,20,21,22,23,24,25,26)
InChIKeyDXAXMTYXAGATCT-UHFFFAOYSA-N
XLogP3.20
TPSA115.05 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.43
LogP ≤ 53.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[2-amino-6-(3-methoxyphenyl)pyrido[2,3-d]pyrimidin-7-yl]-3-tert-butylurea?
The IUPAC name of 1-[2-amino-6-(3-methoxyphenyl)pyrido[2,3-d]pyrimidin-7-yl]-3-tert-butylurea (CID 5329128) is 1-[2-amino-6-(3-methoxyphenyl)pyrido[2,3-d]pyrimidin-7-yl]-3-tert-butylurea.
What is the SMILES notation for 1-[2-amino-6-(3-methoxyphenyl)pyrido[2,3-d]pyrimidin-7-yl]-3-tert-butylurea?
The canonical SMILES for 1-[2-amino-6-(3-methoxyphenyl)pyrido[2,3-d]pyrimidin-7-yl]-3-tert-butylurea is COc1cccc(-c2cc3cnc(N)nc3nc2NC(=O)NC(C)(C)C)c1.
What is the InChIKey of 1-[2-amino-6-(3-methoxyphenyl)pyrido[2,3-d]pyrimidin-7-yl]-3-tert-butylurea?
The InChIKey is DXAXMTYXAGATCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N6O2/c1-19(2,3)25-18(26)24-16-14(11-6-5-7-13(8-11)27-4)9-12-10-21-17(20)23-15(12)22-16/h5-10H,1-4H3,(H4,20,21,22,23,24,25,26).
What are the key properties of 1-[2-amino-6-(3-methoxyphenyl)pyrido[2,3-d]pyrimidin-7-yl]-3-tert-butylurea?
1-[2-amino-6-(3-methoxyphenyl)pyrido[2,3-d]pyrimidin-7-yl]-3-tert-butylurea has a molecular weight of 366.43 g/mol, XLogP of 3.20, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-amino-6-(3-methoxyphenyl)pyrido[2,3-d]pyrimidin-7-yl]-3-tert-butylurea is sourced from PubChem (CID 5329128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).