4,5-diamino-2-(4-cyclopropyl-2-ethoxyphenyl)-1H-pyrimidin-6-one

C15H18N4O2 — CID 154661702

IUPAC4,5-diamino-2-(4-cyclopropyl-2-ethoxyphenyl)-1H-pyrimidin-6-one
SMILESCCOc1cc(C2CC2)ccc1-c1nc(N)c(N)c(=O)[nH]1
InChIInChI=1S/C15H18N4O2/c1-2-21-11-7-9(8-3-4-8)5-6-10(11)14-18-13(17)12(16)15(20)19-14/h5-8H,2-4,16H2,1H3,(H3,17,18,19,20)
InChIKeyLWUDAZKLVWDNGO-UHFFFAOYSA-N
MW286.34 g/mol
LogP1.88
Rot. Bonds4

About 4,5-diamino-2-(4-cyclopropyl-2-ethoxyphenyl)-1H-pyrimidin-6-one

4,5-diamino-2-(4-cyclopropyl-2-ethoxyphenyl)-1H-pyrimidin-6-one (PubChem CID 154661702) has the molecular formula C15H18N4O2 and a molecular weight of 286.34 g/mol. Its IUPAC name is 4,5-diamino-2-(4-cyclopropyl-2-ethoxyphenyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4,5-diamino-2-(4-cyclopropyl-2-ethoxyphenyl)-1H-pyrimidin-6-one
PubChem CID154661702
Molecular FormulaC15H18N4O2
Molecular Weight286.34 g/mol
Exact Mass286.14
IUPAC Name4,5-diamino-2-(4-cyclopropyl-2-ethoxyphenyl)-1H-pyrimidin-6-one
SMILESCCOc1cc(C2CC2)ccc1-c1nc(N)c(N)c(=O)[nH]1
InChIInChI=1S/C15H18N4O2/c1-2-21-11-7-9(8-3-4-8)5-6-10(11)14-18-13(17)12(16)15(20)19-14/h5-8H,2-4,16H2,1H3,(H3,17,18,19,20)
InChIKeyLWUDAZKLVWDNGO-UHFFFAOYSA-N
XLogP1.88
TPSA107.02 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.34
LogP ≤ 51.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4,5-diamino-2-(4-cyclopropyl-2-ethoxyphenyl)-1H-pyrimidin-6-one?
The IUPAC name of 4,5-diamino-2-(4-cyclopropyl-2-ethoxyphenyl)-1H-pyrimidin-6-one (CID 154661702) is 4,5-diamino-2-(4-cyclopropyl-2-ethoxyphenyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 4,5-diamino-2-(4-cyclopropyl-2-ethoxyphenyl)-1H-pyrimidin-6-one?
The canonical SMILES for 4,5-diamino-2-(4-cyclopropyl-2-ethoxyphenyl)-1H-pyrimidin-6-one is CCOc1cc(C2CC2)ccc1-c1nc(N)c(N)c(=O)[nH]1.
What is the InChIKey of 4,5-diamino-2-(4-cyclopropyl-2-ethoxyphenyl)-1H-pyrimidin-6-one?
The InChIKey is LWUDAZKLVWDNGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O2/c1-2-21-11-7-9(8-3-4-8)5-6-10(11)14-18-13(17)12(16)15(20)19-14/h5-8H,2-4,16H2,1H3,(H3,17,18,19,20).
What are the key properties of 4,5-diamino-2-(4-cyclopropyl-2-ethoxyphenyl)-1H-pyrimidin-6-one?
4,5-diamino-2-(4-cyclopropyl-2-ethoxyphenyl)-1H-pyrimidin-6-one has a molecular weight of 286.34 g/mol, XLogP of 1.88, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-diamino-2-(4-cyclopropyl-2-ethoxyphenyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 154661702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).