1,3-dimethyl-2,4-dioxo-6-[[(1R,2R)-2-phenoxycyclopentyl]amino]pyrimidine-5-carbonitrile

C18H20N4O3 — CID 95316865

IUPAC1,3-dimethyl-2,4-dioxo-6-[[(1R,2R)-2-phenoxycyclopentyl]amino]pyrimidine-5-carbonitrile
SMILESCn1c(N[C@@H]2CCC[C@H]2Oc2ccccc2)c(C#N)c(=O)n(C)c1=O
InChIInChI=1S/C18H20N4O3/c1-21-16(13(11-19)17(23)22(2)18(21)24)20-14-9-6-10-15(14)25-12-7-4-3-5-8-12/h3-5,7-8,14-15,20H,6,9-10H2,1-2H3/t14-,15-/m1/s1
InChIKeyMEOXOELLHPVHQW-HUUCEWRRSA-N
MW340.38 g/mol
LogP1.37
Rot. Bonds4

About 1,3-dimethyl-2,4-dioxo-6-[[(1R,2R)-2-phenoxycyclopentyl]amino]pyrimidine-5-carbonitrile

1,3-dimethyl-2,4-dioxo-6-[[(1R,2R)-2-phenoxycyclopentyl]amino]pyrimidine-5-carbonitrile (PubChem CID 95316865) has the molecular formula C18H20N4O3 and a molecular weight of 340.38 g/mol. Its IUPAC name is 1,3-dimethyl-2,4-dioxo-6-[[(1R,2R)-2-phenoxycyclopentyl]amino]pyrimidine-5-carbonitrile.

Molecular Properties

Compound Name1,3-dimethyl-2,4-dioxo-6-[[(1R,2R)-2-phenoxycyclopentyl]amino]pyrimidine-5-carbonitrile
PubChem CID95316865
Molecular FormulaC18H20N4O3
Molecular Weight340.38 g/mol
Exact Mass340.15
IUPAC Name1,3-dimethyl-2,4-dioxo-6-[[(1R,2R)-2-phenoxycyclopentyl]amino]pyrimidine-5-carbonitrile
SMILESCn1c(N[C@@H]2CCC[C@H]2Oc2ccccc2)c(C#N)c(=O)n(C)c1=O
InChIInChI=1S/C18H20N4O3/c1-21-16(13(11-19)17(23)22(2)18(21)24)20-14-9-6-10-15(14)25-12-7-4-3-5-8-12/h3-5,7-8,14-15,20H,6,9-10H2,1-2H3/t14-,15-/m1/s1
InChIKeyMEOXOELLHPVHQW-HUUCEWRRSA-N
XLogP1.37
TPSA89.05 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-2,4-dioxo-6-[[(1R,2R)-2-phenoxycyclopentyl]amino]pyrimidine-5-carbonitrile?
The IUPAC name of 1,3-dimethyl-2,4-dioxo-6-[[(1R,2R)-2-phenoxycyclopentyl]amino]pyrimidine-5-carbonitrile (CID 95316865) is 1,3-dimethyl-2,4-dioxo-6-[[(1R,2R)-2-phenoxycyclopentyl]amino]pyrimidine-5-carbonitrile.
What is the SMILES notation for 1,3-dimethyl-2,4-dioxo-6-[[(1R,2R)-2-phenoxycyclopentyl]amino]pyrimidine-5-carbonitrile?
The canonical SMILES for 1,3-dimethyl-2,4-dioxo-6-[[(1R,2R)-2-phenoxycyclopentyl]amino]pyrimidine-5-carbonitrile is Cn1c(N[C@@H]2CCC[C@H]2Oc2ccccc2)c(C#N)c(=O)n(C)c1=O.
What is the InChIKey of 1,3-dimethyl-2,4-dioxo-6-[[(1R,2R)-2-phenoxycyclopentyl]amino]pyrimidine-5-carbonitrile?
The InChIKey is MEOXOELLHPVHQW-HUUCEWRRSA-N. The full InChI is InChI=1S/C18H20N4O3/c1-21-16(13(11-19)17(23)22(2)18(21)24)20-14-9-6-10-15(14)25-12-7-4-3-5-8-12/h3-5,7-8,14-15,20H,6,9-10H2,1-2H3/t14-,15-/m1/s1.
What are the key properties of 1,3-dimethyl-2,4-dioxo-6-[[(1R,2R)-2-phenoxycyclopentyl]amino]pyrimidine-5-carbonitrile?
1,3-dimethyl-2,4-dioxo-6-[[(1R,2R)-2-phenoxycyclopentyl]amino]pyrimidine-5-carbonitrile has a molecular weight of 340.38 g/mol, XLogP of 1.37, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-2,4-dioxo-6-[[(1R,2R)-2-phenoxycyclopentyl]amino]pyrimidine-5-carbonitrile is sourced from PubChem (CID 95316865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).