N-[(2R)-5-methylhexan-2-yl]-6-phenylthieno[2,3-d]pyrimidin-4-amine

C19H23N3S — CID 7831254

IUPACN-[(2R)-5-methylhexan-2-yl]-6-phenylthieno[2,3-d]pyrimidin-4-amine
SMILESCC(C)CC[C@@H](C)Nc1ncnc2sc(-c3ccccc3)cc12
InChIInChI=1S/C19H23N3S/c1-13(2)9-10-14(3)22-18-16-11-17(15-7-5-4-6-8-15)23-19(16)21-12-20-18/h4-8,11-14H,9-10H2,1-3H3,(H,20,21,22)/t14-/m1/s1
InChIKeyKOVJVRFWWRGFJS-CQSZACIVSA-N
MW325.48 g/mol
LogP5.59
Rot. Bonds6

About N-[(2R)-5-methylhexan-2-yl]-6-phenylthieno[2,3-d]pyrimidin-4-amine

N-[(2R)-5-methylhexan-2-yl]-6-phenylthieno[2,3-d]pyrimidin-4-amine (PubChem CID 7831254) has the molecular formula C19H23N3S and a molecular weight of 325.48 g/mol. Its IUPAC name is N-[(2R)-5-methylhexan-2-yl]-6-phenylthieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[(2R)-5-methylhexan-2-yl]-6-phenylthieno[2,3-d]pyrimidin-4-amine
PubChem CID7831254
Molecular FormulaC19H23N3S
Molecular Weight325.48 g/mol
Exact Mass325.16
IUPAC NameN-[(2R)-5-methylhexan-2-yl]-6-phenylthieno[2,3-d]pyrimidin-4-amine
SMILESCC(C)CC[C@@H](C)Nc1ncnc2sc(-c3ccccc3)cc12
InChIInChI=1S/C19H23N3S/c1-13(2)9-10-14(3)22-18-16-11-17(15-7-5-4-6-8-15)23-19(16)21-12-20-18/h4-8,11-14H,9-10H2,1-3H3,(H,20,21,22)/t14-/m1/s1
InChIKeyKOVJVRFWWRGFJS-CQSZACIVSA-N
XLogP5.59
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500325.48
LogP ≤ 55.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-6-phenylthieno[2,3-d]pyrimidin-4-amine
CID 4882445
(2S)-2-[(6-phenylthieno[2,3-d]pyrimidin-4-yl)amino]butan-1-ol
CID 28849500
[[(6-phenylthieno[2,3-d]pyrimidin-4-yl)amino]-phosphonomethyl]phosphonic acid
CID 71583207
N-(2,2-dimethoxyethyl)-6-phenylthieno[2,3-d]pyrimidin-4-amine
CID 4783172
(2R)-4-amino-4-oxo-2-[(6-phenylthieno[2,3-d]pyrimidin-4-yl)amino]butanoic acid
CID 28840002
(2R)-2-(4-methoxyphenyl)-2-[(6-phenylthieno[2,3-d]pyrimidin-4-yl)amino]ethanol
CID 176515272
6-(4-methylsulfonylphenyl)-N-[(1R)-1-phenylethyl]thieno[2,3-d]pyrimidin-4-amine
CID 127026467
N-[2-(4-methylpiperazin-1-yl)propyl]-6-phenylthieno[2,3-d]pyrimidin-4-amine
CID 133287212
4-methyl-6-phenylthieno[2,3-d]pyrimidine
CID 58810662
3-methyl-1-morpholin-4-yl-2-[(6-phenylthieno[2,3-d]pyrimidin-4-yl)amino]butan-1-one
CID 133365697
N-[2-(4-ethylpiperazin-1-yl)propyl]-6-phenylthieno[2,3-d]pyrimidin-4-amine
CID 60505649
N-(4-fluorophenyl)-6-phenylthieno[2,3-d]pyrimidin-4-amine;hydrochloride
CID 44635739

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-5-methylhexan-2-yl]-6-phenylthieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of N-[(2R)-5-methylhexan-2-yl]-6-phenylthieno[2,3-d]pyrimidin-4-amine (CID 7831254) is N-[(2R)-5-methylhexan-2-yl]-6-phenylthieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-[(2R)-5-methylhexan-2-yl]-6-phenylthieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for N-[(2R)-5-methylhexan-2-yl]-6-phenylthieno[2,3-d]pyrimidin-4-amine is CC(C)CC[C@@H](C)Nc1ncnc2sc(-c3ccccc3)cc12.
What is the InChIKey of N-[(2R)-5-methylhexan-2-yl]-6-phenylthieno[2,3-d]pyrimidin-4-amine?
The InChIKey is KOVJVRFWWRGFJS-CQSZACIVSA-N. The full InChI is InChI=1S/C19H23N3S/c1-13(2)9-10-14(3)22-18-16-11-17(15-7-5-4-6-8-15)23-19(16)21-12-20-18/h4-8,11-14H,9-10H2,1-3H3,(H,20,21,22)/t14-/m1/s1.
What are the key properties of N-[(2R)-5-methylhexan-2-yl]-6-phenylthieno[2,3-d]pyrimidin-4-amine?
N-[(2R)-5-methylhexan-2-yl]-6-phenylthieno[2,3-d]pyrimidin-4-amine has a molecular weight of 325.48 g/mol, XLogP of 5.59, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-5-methylhexan-2-yl]-6-phenylthieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 7831254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).