2,4-diamino-5-[1-(2,4-dimethoxyphenyl)ethyl]-1H-pyrimidin-6-one

C14H18N4O3 — CID 135450770

IUPAC2,4-diamino-5-[1-(2,4-dimethoxyphenyl)ethyl]-1H-pyrimidin-6-one
SMILESCOc1ccc(C(C)c2c(N)nc(N)[nH]c2=O)c(OC)c1
InChIInChI=1S/C14H18N4O3/c1-7(11-12(15)17-14(16)18-13(11)19)9-5-4-8(20-2)6-10(9)21-3/h4-7H,1-3H3,(H5,15,16,17,18,19)
InChIKeyDKOBMCUIPLCLNJ-UHFFFAOYSA-N
MW290.32 g/mol
LogP1.10
Rot. Bonds4

About 2,4-diamino-5-[1-(2,4-dimethoxyphenyl)ethyl]-1H-pyrimidin-6-one

2,4-diamino-5-[1-(2,4-dimethoxyphenyl)ethyl]-1H-pyrimidin-6-one (PubChem CID 135450770) has the molecular formula C14H18N4O3 and a molecular weight of 290.32 g/mol. Its IUPAC name is 2,4-diamino-5-[1-(2,4-dimethoxyphenyl)ethyl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2,4-diamino-5-[1-(2,4-dimethoxyphenyl)ethyl]-1H-pyrimidin-6-one
PubChem CID135450770
Molecular FormulaC14H18N4O3
Molecular Weight290.32 g/mol
Exact Mass290.14
IUPAC Name2,4-diamino-5-[1-(2,4-dimethoxyphenyl)ethyl]-1H-pyrimidin-6-one
SMILESCOc1ccc(C(C)c2c(N)nc(N)[nH]c2=O)c(OC)c1
InChIInChI=1S/C14H18N4O3/c1-7(11-12(15)17-14(16)18-13(11)19)9-5-4-8(20-2)6-10(9)21-3/h4-7H,1-3H3,(H5,15,16,17,18,19)
InChIKeyDKOBMCUIPLCLNJ-UHFFFAOYSA-N
XLogP1.10
TPSA116.25 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 51.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2,4-diamino-5-[1-(2,4-dimethoxyphenyl)ethyl]-1H-pyrimidin-6-one?
The IUPAC name of 2,4-diamino-5-[1-(2,4-dimethoxyphenyl)ethyl]-1H-pyrimidin-6-one (CID 135450770) is 2,4-diamino-5-[1-(2,4-dimethoxyphenyl)ethyl]-1H-pyrimidin-6-one.
What is the SMILES notation for 2,4-diamino-5-[1-(2,4-dimethoxyphenyl)ethyl]-1H-pyrimidin-6-one?
The canonical SMILES for 2,4-diamino-5-[1-(2,4-dimethoxyphenyl)ethyl]-1H-pyrimidin-6-one is COc1ccc(C(C)c2c(N)nc(N)[nH]c2=O)c(OC)c1.
What is the InChIKey of 2,4-diamino-5-[1-(2,4-dimethoxyphenyl)ethyl]-1H-pyrimidin-6-one?
The InChIKey is DKOBMCUIPLCLNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O3/c1-7(11-12(15)17-14(16)18-13(11)19)9-5-4-8(20-2)6-10(9)21-3/h4-7H,1-3H3,(H5,15,16,17,18,19).
What are the key properties of 2,4-diamino-5-[1-(2,4-dimethoxyphenyl)ethyl]-1H-pyrimidin-6-one?
2,4-diamino-5-[1-(2,4-dimethoxyphenyl)ethyl]-1H-pyrimidin-6-one has a molecular weight of 290.32 g/mol, XLogP of 1.10, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-diamino-5-[1-(2,4-dimethoxyphenyl)ethyl]-1H-pyrimidin-6-one is sourced from PubChem (CID 135450770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).