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

C18H20N6O — CID 5329111

IUPAC1-(2-amino-6-phenylpyrido[2,3-d]pyrimidin-7-yl)-3-tert-butylurea
SMILESCC(C)(C)NC(=O)Nc1nc2nc(N)ncc2cc1-c1ccccc1
InChIInChI=1S/C18H20N6O/c1-18(2,3)24-17(25)23-15-13(11-7-5-4-6-8-11)9-12-10-20-16(19)22-14(12)21-15/h4-10H,1-3H3,(H4,19,20,21,22,23,24,25)
InChIKeyYJOFXQWQYIOWNT-UHFFFAOYSA-N
MW336.40 g/mol
LogP3.19
Rot. Bonds2

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

1-(2-amino-6-phenylpyrido[2,3-d]pyrimidin-7-yl)-3-tert-butylurea (PubChem CID 5329111) has the molecular formula C18H20N6O and a molecular weight of 336.40 g/mol. Its IUPAC name is 1-(2-amino-6-phenylpyrido[2,3-d]pyrimidin-7-yl)-3-tert-butylurea.

Molecular Properties

Compound Name1-(2-amino-6-phenylpyrido[2,3-d]pyrimidin-7-yl)-3-tert-butylurea
PubChem CID5329111
Molecular FormulaC18H20N6O
Molecular Weight336.40 g/mol
Exact Mass336.17
IUPAC Name1-(2-amino-6-phenylpyrido[2,3-d]pyrimidin-7-yl)-3-tert-butylurea
SMILESCC(C)(C)NC(=O)Nc1nc2nc(N)ncc2cc1-c1ccccc1
InChIInChI=1S/C18H20N6O/c1-18(2,3)24-17(25)23-15-13(11-7-5-4-6-8-11)9-12-10-20-16(19)22-14(12)21-15/h4-10H,1-3H3,(H4,19,20,21,22,23,24,25)
InChIKeyYJOFXQWQYIOWNT-UHFFFAOYSA-N
XLogP3.19
TPSA105.82 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.40
LogP ≤ 53.19
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-phenylpyrido[2,3-d]pyrimidin-7-yl)-3-tert-butylurea?
The IUPAC name of 1-(2-amino-6-phenylpyrido[2,3-d]pyrimidin-7-yl)-3-tert-butylurea (CID 5329111) is 1-(2-amino-6-phenylpyrido[2,3-d]pyrimidin-7-yl)-3-tert-butylurea.
What is the SMILES notation for 1-(2-amino-6-phenylpyrido[2,3-d]pyrimidin-7-yl)-3-tert-butylurea?
The canonical SMILES for 1-(2-amino-6-phenylpyrido[2,3-d]pyrimidin-7-yl)-3-tert-butylurea is CC(C)(C)NC(=O)Nc1nc2nc(N)ncc2cc1-c1ccccc1.
What is the InChIKey of 1-(2-amino-6-phenylpyrido[2,3-d]pyrimidin-7-yl)-3-tert-butylurea?
The InChIKey is YJOFXQWQYIOWNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N6O/c1-18(2,3)24-17(25)23-15-13(11-7-5-4-6-8-11)9-12-10-20-16(19)22-14(12)21-15/h4-10H,1-3H3,(H4,19,20,21,22,23,24,25).
What are the key properties of 1-(2-amino-6-phenylpyrido[2,3-d]pyrimidin-7-yl)-3-tert-butylurea?
1-(2-amino-6-phenylpyrido[2,3-d]pyrimidin-7-yl)-3-tert-butylurea has a molecular weight of 336.40 g/mol, XLogP of 3.19, 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-phenylpyrido[2,3-d]pyrimidin-7-yl)-3-tert-butylurea is sourced from PubChem (CID 5329111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).