1,3-dimethyl-2,4-dioxo-6-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]pyrimidine-5-carbonitrile

C17H18N4O2 — CID 94017646

IUPAC1,3-dimethyl-2,4-dioxo-6-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]pyrimidine-5-carbonitrile
SMILESCn1c(N[C@H]2CCCc3ccccc32)c(C#N)c(=O)n(C)c1=O
InChIInChI=1S/C17H18N4O2/c1-20-15(13(10-18)16(22)21(2)17(20)23)19-14-9-5-7-11-6-3-4-8-12(11)14/h3-4,6,8,14,19H,5,7,9H2,1-2H3/t14-/m0/s1
InChIKeyYALSPADPJGPODQ-AWEZNQCLSA-N
MW310.36 g/mol
LogP1.45
Rot. Bonds2

About 1,3-dimethyl-2,4-dioxo-6-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]pyrimidine-5-carbonitrile

1,3-dimethyl-2,4-dioxo-6-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]pyrimidine-5-carbonitrile (PubChem CID 94017646) has the molecular formula C17H18N4O2 and a molecular weight of 310.36 g/mol. Its IUPAC name is 1,3-dimethyl-2,4-dioxo-6-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]pyrimidine-5-carbonitrile.

Molecular Properties

Compound Name1,3-dimethyl-2,4-dioxo-6-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]pyrimidine-5-carbonitrile
PubChem CID94017646
Molecular FormulaC17H18N4O2
Molecular Weight310.36 g/mol
Exact Mass310.14
IUPAC Name1,3-dimethyl-2,4-dioxo-6-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]pyrimidine-5-carbonitrile
SMILESCn1c(N[C@H]2CCCc3ccccc32)c(C#N)c(=O)n(C)c1=O
InChIInChI=1S/C17H18N4O2/c1-20-15(13(10-18)16(22)21(2)17(20)23)19-14-9-5-7-11-6-3-4-8-12(11)14/h3-4,6,8,14,19H,5,7,9H2,1-2H3/t14-/m0/s1
InChIKeyYALSPADPJGPODQ-AWEZNQCLSA-N
XLogP1.45
TPSA79.82 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.36
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1,3-dimethyl-2,4-dioxo-6-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]pyrimidine-5-carbonitrile
CID 94017645
4-[(9-chloro-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)amino]-1,3-dimethyl-2,6-dioxopyrimidine-5-carbonitrile
CID 133435992
1,3-dimethyl-5-(1,2,3,4-tetrahydronaphthalen-1-ylamino)pyrazole-4-carbonitrile
CID 63756476
4-[[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]amino]-1,3-dimethyl-2,6-dioxopyrimidine-5-carbonitrile
CID 133273201
2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)benzene-1,3-dicarbonitrile
CID 133498362
4-[[(2R)-2-(2,3-dihydroindol-1-yl)propyl]amino]-1,3-dimethyl-2,6-dioxopyrimidine-5-carbonitrile
CID 32810633
1-methyl-5-(1,2,3,4-tetrahydronaphthalen-1-ylamino)piperidin-2-one
CID 64654083
6-methyl-2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)pyridine-3-carbonitrile
CID 62306461
2,5-dimethyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrrol-1-amine
CID 79100583
2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
CID 3854113
2-(4-cyano-1,3-dioxo-6,7,8,9-tetrahydro-5H-pyrimido[1,6-a]azepin-2-yl)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 25387398
6-methyl-2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)pyrimidine-4-carbonitrile
CID 107544308

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-2,4-dioxo-6-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]pyrimidine-5-carbonitrile?
The IUPAC name of 1,3-dimethyl-2,4-dioxo-6-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]pyrimidine-5-carbonitrile (CID 94017646) is 1,3-dimethyl-2,4-dioxo-6-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]pyrimidine-5-carbonitrile.
What is the SMILES notation for 1,3-dimethyl-2,4-dioxo-6-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]pyrimidine-5-carbonitrile?
The canonical SMILES for 1,3-dimethyl-2,4-dioxo-6-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]pyrimidine-5-carbonitrile is Cn1c(N[C@H]2CCCc3ccccc32)c(C#N)c(=O)n(C)c1=O.
What is the InChIKey of 1,3-dimethyl-2,4-dioxo-6-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]pyrimidine-5-carbonitrile?
The InChIKey is YALSPADPJGPODQ-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H18N4O2/c1-20-15(13(10-18)16(22)21(2)17(20)23)19-14-9-5-7-11-6-3-4-8-12(11)14/h3-4,6,8,14,19H,5,7,9H2,1-2H3/t14-/m0/s1.
What are the key properties of 1,3-dimethyl-2,4-dioxo-6-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]pyrimidine-5-carbonitrile?
1,3-dimethyl-2,4-dioxo-6-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]pyrimidine-5-carbonitrile has a molecular weight of 310.36 g/mol, XLogP of 1.45, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-2,4-dioxo-6-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]pyrimidine-5-carbonitrile is sourced from PubChem (CID 94017646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).