4-amino-2-[(R)-(2-methylphenyl)-phenylmethyl]sulfanylpyrimidine-5-carbonitrile

C19H16N4S — CID 30834797

IUPAC4-amino-2-[(R)-(2-methylphenyl)-phenylmethyl]sulfanylpyrimidine-5-carbonitrile
SMILESCc1ccccc1[C@H](Sc1ncc(C#N)c(N)n1)c1ccccc1
InChIInChI=1S/C19H16N4S/c1-13-7-5-6-10-16(13)17(14-8-3-2-4-9-14)24-19-22-12-15(11-20)18(21)23-19/h2-10,12,17H,1H3,(H2,21,22,23)/t17-/m1/s1
InChIKeyVAYCZCHOKJWVDM-QGZVFWFLSA-N
MW332.43 g/mol
LogP4.12
Rot. Bonds4

About 4-amino-2-[(R)-(2-methylphenyl)-phenylmethyl]sulfanylpyrimidine-5-carbonitrile

4-amino-2-[(R)-(2-methylphenyl)-phenylmethyl]sulfanylpyrimidine-5-carbonitrile (PubChem CID 30834797) has the molecular formula C19H16N4S and a molecular weight of 332.43 g/mol. Its IUPAC name is 4-amino-2-[(R)-(2-methylphenyl)-phenylmethyl]sulfanylpyrimidine-5-carbonitrile.

Molecular Properties

Compound Name4-amino-2-[(R)-(2-methylphenyl)-phenylmethyl]sulfanylpyrimidine-5-carbonitrile
PubChem CID30834797
Molecular FormulaC19H16N4S
Molecular Weight332.43 g/mol
Exact Mass332.11
IUPAC Name4-amino-2-[(R)-(2-methylphenyl)-phenylmethyl]sulfanylpyrimidine-5-carbonitrile
SMILESCc1ccccc1[C@H](Sc1ncc(C#N)c(N)n1)c1ccccc1
InChIInChI=1S/C19H16N4S/c1-13-7-5-6-10-16(13)17(14-8-3-2-4-9-14)24-19-22-12-15(11-20)18(21)23-19/h2-10,12,17H,1H3,(H2,21,22,23)/t17-/m1/s1
InChIKeyVAYCZCHOKJWVDM-QGZVFWFLSA-N
XLogP4.12
TPSA75.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.43
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-amino-2-[(R)-(2-methylphenyl)-phenylmethyl]sulfanylpyrimidine-5-carbonitrile?
The IUPAC name of 4-amino-2-[(R)-(2-methylphenyl)-phenylmethyl]sulfanylpyrimidine-5-carbonitrile (CID 30834797) is 4-amino-2-[(R)-(2-methylphenyl)-phenylmethyl]sulfanylpyrimidine-5-carbonitrile.
What is the SMILES notation for 4-amino-2-[(R)-(2-methylphenyl)-phenylmethyl]sulfanylpyrimidine-5-carbonitrile?
The canonical SMILES for 4-amino-2-[(R)-(2-methylphenyl)-phenylmethyl]sulfanylpyrimidine-5-carbonitrile is Cc1ccccc1[C@H](Sc1ncc(C#N)c(N)n1)c1ccccc1.
What is the InChIKey of 4-amino-2-[(R)-(2-methylphenyl)-phenylmethyl]sulfanylpyrimidine-5-carbonitrile?
The InChIKey is VAYCZCHOKJWVDM-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H16N4S/c1-13-7-5-6-10-16(13)17(14-8-3-2-4-9-14)24-19-22-12-15(11-20)18(21)23-19/h2-10,12,17H,1H3,(H2,21,22,23)/t17-/m1/s1.
What are the key properties of 4-amino-2-[(R)-(2-methylphenyl)-phenylmethyl]sulfanylpyrimidine-5-carbonitrile?
4-amino-2-[(R)-(2-methylphenyl)-phenylmethyl]sulfanylpyrimidine-5-carbonitrile has a molecular weight of 332.43 g/mol, XLogP of 4.12, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-[(R)-(2-methylphenyl)-phenylmethyl]sulfanylpyrimidine-5-carbonitrile is sourced from PubChem (CID 30834797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).