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

C19H22N6O — CID 5329118

IUPAC1-[2-amino-6-(2-methylphenyl)pyrido[2,3-d]pyrimidin-7-yl]-3-tert-butylurea
SMILESCc1ccccc1-c1cc2cnc(N)nc2nc1NC(=O)NC(C)(C)C
InChIInChI=1S/C19H22N6O/c1-11-7-5-6-8-13(11)14-9-12-10-21-17(20)23-15(12)22-16(14)24-18(26)25-19(2,3)4/h5-10H,1-4H3,(H4,20,21,22,23,24,25,26)
InChIKeyCMOQWRCLKYBEOS-UHFFFAOYSA-N
MW350.43 g/mol
LogP3.50
Rot. Bonds2

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

1-[2-amino-6-(2-methylphenyl)pyrido[2,3-d]pyrimidin-7-yl]-3-tert-butylurea (PubChem CID 5329118) has the molecular formula C19H22N6O and a molecular weight of 350.43 g/mol. Its IUPAC name is 1-[2-amino-6-(2-methylphenyl)pyrido[2,3-d]pyrimidin-7-yl]-3-tert-butylurea.

Molecular Properties

Compound Name1-[2-amino-6-(2-methylphenyl)pyrido[2,3-d]pyrimidin-7-yl]-3-tert-butylurea
PubChem CID5329118
Molecular FormulaC19H22N6O
Molecular Weight350.43 g/mol
Exact Mass350.19
IUPAC Name1-[2-amino-6-(2-methylphenyl)pyrido[2,3-d]pyrimidin-7-yl]-3-tert-butylurea
SMILESCc1ccccc1-c1cc2cnc(N)nc2nc1NC(=O)NC(C)(C)C
InChIInChI=1S/C19H22N6O/c1-11-7-5-6-8-13(11)14-9-12-10-21-17(20)23-15(12)22-16(14)24-18(26)25-19(2,3)4/h5-10H,1-4H3,(H4,20,21,22,23,24,25,26)
InChIKeyCMOQWRCLKYBEOS-UHFFFAOYSA-N
XLogP3.50
TPSA105.82 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.43
LogP ≤ 53.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[2-amino-6-(2-methylphenyl)pyrido[2,3-d]pyrimidin-7-yl]-3-tert-butylurea?
The IUPAC name of 1-[2-amino-6-(2-methylphenyl)pyrido[2,3-d]pyrimidin-7-yl]-3-tert-butylurea (CID 5329118) is 1-[2-amino-6-(2-methylphenyl)pyrido[2,3-d]pyrimidin-7-yl]-3-tert-butylurea.
What is the SMILES notation for 1-[2-amino-6-(2-methylphenyl)pyrido[2,3-d]pyrimidin-7-yl]-3-tert-butylurea?
The canonical SMILES for 1-[2-amino-6-(2-methylphenyl)pyrido[2,3-d]pyrimidin-7-yl]-3-tert-butylurea is Cc1ccccc1-c1cc2cnc(N)nc2nc1NC(=O)NC(C)(C)C.
What is the InChIKey of 1-[2-amino-6-(2-methylphenyl)pyrido[2,3-d]pyrimidin-7-yl]-3-tert-butylurea?
The InChIKey is CMOQWRCLKYBEOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N6O/c1-11-7-5-6-8-13(11)14-9-12-10-21-17(20)23-15(12)22-16(14)24-18(26)25-19(2,3)4/h5-10H,1-4H3,(H4,20,21,22,23,24,25,26).
What are the key properties of 1-[2-amino-6-(2-methylphenyl)pyrido[2,3-d]pyrimidin-7-yl]-3-tert-butylurea?
1-[2-amino-6-(2-methylphenyl)pyrido[2,3-d]pyrimidin-7-yl]-3-tert-butylurea has a molecular weight of 350.43 g/mol, XLogP of 3.50, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-amino-6-(2-methylphenyl)pyrido[2,3-d]pyrimidin-7-yl]-3-tert-butylurea is sourced from PubChem (CID 5329118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).