1-[4-[(8-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]cyclohexyl]-3-propan-2-ylurea

C18H26N6O2 — CID 118146764

IUPAC1-[4-[(8-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]cyclohexyl]-3-propan-2-ylurea
SMILESCC(C)NC(=O)NC1CCC(Nc2ncc3ccc(=O)n(C)c3n2)CC1
InChIInChI=1S/C18H26N6O2/c1-11(2)20-18(26)22-14-7-5-13(6-8-14)21-17-19-10-12-4-9-15(25)24(3)16(12)23-17/h4,9-11,13-14H,5-8H2,1-3H3,(H,19,21,23)(H2,20,22,26)
InChIKeyIEZJTLFFNLOEKV-UHFFFAOYSA-N
MW358.45 g/mol
LogP1.76
Rot. Bonds4

About 1-[4-[(8-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]cyclohexyl]-3-propan-2-ylurea

1-[4-[(8-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]cyclohexyl]-3-propan-2-ylurea (PubChem CID 118146764) has the molecular formula C18H26N6O2 and a molecular weight of 358.45 g/mol. Its IUPAC name is 1-[4-[(8-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]cyclohexyl]-3-propan-2-ylurea.

Molecular Properties

Compound Name1-[4-[(8-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]cyclohexyl]-3-propan-2-ylurea
PubChem CID118146764
Molecular FormulaC18H26N6O2
Molecular Weight358.45 g/mol
Exact Mass358.21
IUPAC Name1-[4-[(8-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]cyclohexyl]-3-propan-2-ylurea
SMILESCC(C)NC(=O)NC1CCC(Nc2ncc3ccc(=O)n(C)c3n2)CC1
InChIInChI=1S/C18H26N6O2/c1-11(2)20-18(26)22-14-7-5-13(6-8-14)21-17-19-10-12-4-9-15(25)24(3)16(12)23-17/h4,9-11,13-14H,5-8H2,1-3H3,(H,19,21,23)(H2,20,22,26)
InChIKeyIEZJTLFFNLOEKV-UHFFFAOYSA-N
XLogP1.76
TPSA100.94 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.45
LogP ≤ 51.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[(8-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]cyclohexyl]-3-propan-2-ylurea?
The IUPAC name of 1-[4-[(8-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]cyclohexyl]-3-propan-2-ylurea (CID 118146764) is 1-[4-[(8-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]cyclohexyl]-3-propan-2-ylurea.
What is the SMILES notation for 1-[4-[(8-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]cyclohexyl]-3-propan-2-ylurea?
The canonical SMILES for 1-[4-[(8-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]cyclohexyl]-3-propan-2-ylurea is CC(C)NC(=O)NC1CCC(Nc2ncc3ccc(=O)n(C)c3n2)CC1.
What is the InChIKey of 1-[4-[(8-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]cyclohexyl]-3-propan-2-ylurea?
The InChIKey is IEZJTLFFNLOEKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N6O2/c1-11(2)20-18(26)22-14-7-5-13(6-8-14)21-17-19-10-12-4-9-15(25)24(3)16(12)23-17/h4,9-11,13-14H,5-8H2,1-3H3,(H,19,21,23)(H2,20,22,26).
What are the key properties of 1-[4-[(8-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]cyclohexyl]-3-propan-2-ylurea?
1-[4-[(8-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]cyclohexyl]-3-propan-2-ylurea has a molecular weight of 358.45 g/mol, XLogP of 1.76, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(8-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]cyclohexyl]-3-propan-2-ylurea is sourced from PubChem (CID 118146764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).