4-amino-2-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]pyrimidine-5-carbonitrile

C15H15N5 — CID 67456420

IUPAC4-amino-2-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]pyrimidine-5-carbonitrile
SMILESN#Cc1cnc(N[C@@H]2CCCc3ccccc32)nc1N
InChIInChI=1S/C15H15N5/c16-8-11-9-18-15(20-14(11)17)19-13-7-3-5-10-4-1-2-6-12(10)13/h1-2,4,6,9,13H,3,5,7H2,(H3,17,18,19,20)/t13-/m1/s1
InChIKeyUCPLNPPCEDXYBV-CYBMUJFWSA-N
MW265.32 g/mol
LogP2.42
Rot. Bonds2

About 4-amino-2-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]pyrimidine-5-carbonitrile

4-amino-2-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]pyrimidine-5-carbonitrile (PubChem CID 67456420) has the molecular formula C15H15N5 and a molecular weight of 265.32 g/mol. Its IUPAC name is 4-amino-2-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]pyrimidine-5-carbonitrile.

Molecular Properties

Compound Name4-amino-2-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]pyrimidine-5-carbonitrile
PubChem CID67456420
Molecular FormulaC15H15N5
Molecular Weight265.32 g/mol
Exact Mass265.13
IUPAC Name4-amino-2-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]pyrimidine-5-carbonitrile
SMILESN#Cc1cnc(N[C@@H]2CCCc3ccccc32)nc1N
InChIInChI=1S/C15H15N5/c16-8-11-9-18-15(20-14(11)17)19-13-7-3-5-10-4-1-2-6-12(10)13/h1-2,4,6,9,13H,3,5,7H2,(H3,17,18,19,20)/t13-/m1/s1
InChIKeyUCPLNPPCEDXYBV-CYBMUJFWSA-N
XLogP2.42
TPSA87.62 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.32
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-amino-2-(1,2,3,4-tetrahydronaphthalen-1-ylsulfanyl)pyrimidine-5-carbonitrile
CID 46484122
2-N-[(1S)-2,3-dihydro-1H-inden-1-yl]-5-fluoropyrimidine-2,4-diamine
CID 141199441
2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)benzene-1,3-dicarbonitrile
CID 133498362
4-amino-2-(cyclohexylamino)pyrimidine-5-carbonitrile
CID 4163635
4-amino-2-(cyclopropylamino)pyrimidine-5-carbonitrile
CID 25020947
6-methyl-2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)pyridine-3-carbonitrile
CID 62306461
5-(1,2,3,4-tetrahydronaphthalen-1-ylamino)pyrazine-2-carbonitrile
CID 63659094
6-methyl-2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)pyrimidine-4-carbonitrile
CID 107544308
4-amino-2-[[(1R)-2,3-dihydro-1H-inden-1-yl]amino]-6-ethylpyrimidine-5-carbonitrile
CID 67458087
2-bromo-4-(1,2,3,4-tetrahydronaphthalen-1-ylamino)benzonitrile
CID 107276271
N-(1,2,3,4-tetrahydronaphthalen-1-yl)-4-(trifluoromethyl)pyrimidin-2-amine
CID 46570687
2-bromo-3-fluoro-4-(1,2,3,4-tetrahydronaphthalen-1-ylamino)benzonitrile
CID 107533583

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]pyrimidine-5-carbonitrile?
The IUPAC name of 4-amino-2-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]pyrimidine-5-carbonitrile (CID 67456420) is 4-amino-2-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]pyrimidine-5-carbonitrile.
What is the SMILES notation for 4-amino-2-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]pyrimidine-5-carbonitrile?
The canonical SMILES for 4-amino-2-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]pyrimidine-5-carbonitrile is N#Cc1cnc(N[C@@H]2CCCc3ccccc32)nc1N.
What is the InChIKey of 4-amino-2-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]pyrimidine-5-carbonitrile?
The InChIKey is UCPLNPPCEDXYBV-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H15N5/c16-8-11-9-18-15(20-14(11)17)19-13-7-3-5-10-4-1-2-6-12(10)13/h1-2,4,6,9,13H,3,5,7H2,(H3,17,18,19,20)/t13-/m1/s1.
What are the key properties of 4-amino-2-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]pyrimidine-5-carbonitrile?
4-amino-2-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]pyrimidine-5-carbonitrile has a molecular weight of 265.32 g/mol, XLogP of 2.42, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]pyrimidine-5-carbonitrile is sourced from PubChem (CID 67456420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).