1,3-dimethyl-2,4-dioxo-6-[[(3R)-1-phenylpyrrolidin-3-yl]methylamino]pyrimidine-5-carbonitrile

C18H21N5O2 — CID 36833360

IUPAC1,3-dimethyl-2,4-dioxo-6-[[(3R)-1-phenylpyrrolidin-3-yl]methylamino]pyrimidine-5-carbonitrile
SMILESCn1c(NC[C@H]2CCN(c3ccccc3)C2)c(C#N)c(=O)n(C)c1=O
InChIInChI=1S/C18H21N5O2/c1-21-16(15(10-19)17(24)22(2)18(21)25)20-11-13-8-9-23(12-13)14-6-4-3-5-7-14/h3-7,13,20H,8-9,11-12H2,1-2H3/t13-/m1/s1
InChIKeyDLNMSQUURFEZIJ-CYBMUJFWSA-N
MW339.40 g/mol
LogP0.89
Rot. Bonds4

About 1,3-dimethyl-2,4-dioxo-6-[[(3R)-1-phenylpyrrolidin-3-yl]methylamino]pyrimidine-5-carbonitrile

1,3-dimethyl-2,4-dioxo-6-[[(3R)-1-phenylpyrrolidin-3-yl]methylamino]pyrimidine-5-carbonitrile (PubChem CID 36833360) has the molecular formula C18H21N5O2 and a molecular weight of 339.40 g/mol. Its IUPAC name is 1,3-dimethyl-2,4-dioxo-6-[[(3R)-1-phenylpyrrolidin-3-yl]methylamino]pyrimidine-5-carbonitrile.

Molecular Properties

Compound Name1,3-dimethyl-2,4-dioxo-6-[[(3R)-1-phenylpyrrolidin-3-yl]methylamino]pyrimidine-5-carbonitrile
PubChem CID36833360
Molecular FormulaC18H21N5O2
Molecular Weight339.40 g/mol
Exact Mass339.17
IUPAC Name1,3-dimethyl-2,4-dioxo-6-[[(3R)-1-phenylpyrrolidin-3-yl]methylamino]pyrimidine-5-carbonitrile
SMILESCn1c(NC[C@H]2CCN(c3ccccc3)C2)c(C#N)c(=O)n(C)c1=O
InChIInChI=1S/C18H21N5O2/c1-21-16(15(10-19)17(24)22(2)18(21)25)20-11-13-8-9-23(12-13)14-6-4-3-5-7-14/h3-7,13,20H,8-9,11-12H2,1-2H3/t13-/m1/s1
InChIKeyDLNMSQUURFEZIJ-CYBMUJFWSA-N
XLogP0.89
TPSA83.06 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 1,3-dimethyl-2,4-dioxo-6-[[(3R)-1-phenylpyrrolidin-3-yl]methylamino]pyrimidine-5-carbonitrile with MolForge

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Related Compounds

4-(2,3-dihydro-1-benzofuran-2-ylmethylamino)-1,3-dimethyl-2,6-dioxopyrimidine-5-carbonitrile
CID 51078312
1,3-dimethyl-2,4-dioxo-6-(4-phenylpiperazin-1-yl)pyrimidine-5-carbonitrile
CID 17449906
1,3-dimethyl-4-[methyl-(1-phenylpiperidin-3-yl)amino]-2,6-dioxopyrimidine-5-carbonitrile
CID 133316013
N-methyl-1-[(3R)-1-phenylpyrrolidin-3-yl]methanamine
CID 42258344
3-bromo-2-cyano-N-[(1-phenylpyrrolidin-3-yl)methyl]benzenesulfonamide
CID 119038418
5-[(1-phenylpyrrolidin-3-yl)methylamino]pyrazine-2-carbonitrile
CID 133291105
3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-[(1-phenylpyrrolidin-3-yl)methyl]propanamide
CID 55621619
1-methyl-3-[(1-phenylpyrrolidin-3-yl)methyl]urea
CID 20827758
4-[2-[(S)-benzylsulfinyl]ethylamino]-1,3-dimethyl-2,6-dioxopyrimidine-5-carbonitrile
CID 95620024
1,3-dimethyl-2,4-dioxo-6-[[(1R,2R)-2-phenoxycyclopentyl]amino]pyrimidine-5-carbonitrile
CID 95316865
4-[3-(2-methoxyethoxymethyl)pyrrolidin-1-yl]-1,3-dimethyl-2,6-dioxopyrimidine-5-carbonitrile
CID 133331953
1,3-dimethyl-2,4-dioxo-6-[[2-(phenoxymethyl)phenyl]methylamino]pyrimidine-5-carbonitrile
CID 17462205

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-2,4-dioxo-6-[[(3R)-1-phenylpyrrolidin-3-yl]methylamino]pyrimidine-5-carbonitrile?
The IUPAC name of 1,3-dimethyl-2,4-dioxo-6-[[(3R)-1-phenylpyrrolidin-3-yl]methylamino]pyrimidine-5-carbonitrile (CID 36833360) is 1,3-dimethyl-2,4-dioxo-6-[[(3R)-1-phenylpyrrolidin-3-yl]methylamino]pyrimidine-5-carbonitrile.
What is the SMILES notation for 1,3-dimethyl-2,4-dioxo-6-[[(3R)-1-phenylpyrrolidin-3-yl]methylamino]pyrimidine-5-carbonitrile?
The canonical SMILES for 1,3-dimethyl-2,4-dioxo-6-[[(3R)-1-phenylpyrrolidin-3-yl]methylamino]pyrimidine-5-carbonitrile is Cn1c(NC[C@H]2CCN(c3ccccc3)C2)c(C#N)c(=O)n(C)c1=O.
What is the InChIKey of 1,3-dimethyl-2,4-dioxo-6-[[(3R)-1-phenylpyrrolidin-3-yl]methylamino]pyrimidine-5-carbonitrile?
The InChIKey is DLNMSQUURFEZIJ-CYBMUJFWSA-N. The full InChI is InChI=1S/C18H21N5O2/c1-21-16(15(10-19)17(24)22(2)18(21)25)20-11-13-8-9-23(12-13)14-6-4-3-5-7-14/h3-7,13,20H,8-9,11-12H2,1-2H3/t13-/m1/s1.
What are the key properties of 1,3-dimethyl-2,4-dioxo-6-[[(3R)-1-phenylpyrrolidin-3-yl]methylamino]pyrimidine-5-carbonitrile?
1,3-dimethyl-2,4-dioxo-6-[[(3R)-1-phenylpyrrolidin-3-yl]methylamino]pyrimidine-5-carbonitrile has a molecular weight of 339.40 g/mol, XLogP of 0.89, 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-[[(3R)-1-phenylpyrrolidin-3-yl]methylamino]pyrimidine-5-carbonitrile is sourced from PubChem (CID 36833360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).