N-[(2S)-2-(2-methylfuro[3,2-b]pyridin-7-yl)propyl]-6-(4-methylphenyl)pyrimidin-4-amine

C22H22N4O — CID 134212538

IUPACN-[(2S)-2-(2-methylfuro[3,2-b]pyridin-7-yl)propyl]-6-(4-methylphenyl)pyrimidin-4-amine
SMILESCc1ccc(-c2cc(NC[C@@H](C)c3ccnc4cc(C)oc34)ncn2)cc1
InChIInChI=1S/C22H22N4O/c1-14-4-6-17(7-5-14)19-11-21(26-13-25-19)24-12-15(2)18-8-9-23-20-10-16(3)27-22(18)20/h4-11,13,15H,12H2,1-3H3,(H,24,25,26)/t15-/m1/s1
InChIKeyTUYPPRJKQPSAHJ-OAHLLOKOSA-N
MW358.45 g/mol
LogP5.12
Rot. Bonds5

About N-[(2S)-2-(2-methylfuro[3,2-b]pyridin-7-yl)propyl]-6-(4-methylphenyl)pyrimidin-4-amine

N-[(2S)-2-(2-methylfuro[3,2-b]pyridin-7-yl)propyl]-6-(4-methylphenyl)pyrimidin-4-amine (PubChem CID 134212538) has the molecular formula C22H22N4O and a molecular weight of 358.45 g/mol. Its IUPAC name is N-[(2S)-2-(2-methylfuro[3,2-b]pyridin-7-yl)propyl]-6-(4-methylphenyl)pyrimidin-4-amine.

Molecular Properties

Compound NameN-[(2S)-2-(2-methylfuro[3,2-b]pyridin-7-yl)propyl]-6-(4-methylphenyl)pyrimidin-4-amine
PubChem CID134212538
Molecular FormulaC22H22N4O
Molecular Weight358.45 g/mol
Exact Mass358.18
IUPAC NameN-[(2S)-2-(2-methylfuro[3,2-b]pyridin-7-yl)propyl]-6-(4-methylphenyl)pyrimidin-4-amine
SMILESCc1ccc(-c2cc(NC[C@@H](C)c3ccnc4cc(C)oc34)ncn2)cc1
InChIInChI=1S/C22H22N4O/c1-14-4-6-17(7-5-14)19-11-21(26-13-25-19)24-12-15(2)18-8-9-23-20-10-16(3)27-22(18)20/h4-11,13,15H,12H2,1-3H3,(H,24,25,26)/t15-/m1/s1
InChIKeyTUYPPRJKQPSAHJ-OAHLLOKOSA-N
XLogP5.12
TPSA63.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.45
LogP ≤ 55.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-(2-methylfuro[3,2-b]pyridin-7-yl)propyl]-6-(4-methylphenyl)pyrimidin-4-amine?
The IUPAC name of N-[(2S)-2-(2-methylfuro[3,2-b]pyridin-7-yl)propyl]-6-(4-methylphenyl)pyrimidin-4-amine (CID 134212538) is N-[(2S)-2-(2-methylfuro[3,2-b]pyridin-7-yl)propyl]-6-(4-methylphenyl)pyrimidin-4-amine.
What is the SMILES notation for N-[(2S)-2-(2-methylfuro[3,2-b]pyridin-7-yl)propyl]-6-(4-methylphenyl)pyrimidin-4-amine?
The canonical SMILES for N-[(2S)-2-(2-methylfuro[3,2-b]pyridin-7-yl)propyl]-6-(4-methylphenyl)pyrimidin-4-amine is Cc1ccc(-c2cc(NC[C@@H](C)c3ccnc4cc(C)oc34)ncn2)cc1.
What is the InChIKey of N-[(2S)-2-(2-methylfuro[3,2-b]pyridin-7-yl)propyl]-6-(4-methylphenyl)pyrimidin-4-amine?
The InChIKey is TUYPPRJKQPSAHJ-OAHLLOKOSA-N. The full InChI is InChI=1S/C22H22N4O/c1-14-4-6-17(7-5-14)19-11-21(26-13-25-19)24-12-15(2)18-8-9-23-20-10-16(3)27-22(18)20/h4-11,13,15H,12H2,1-3H3,(H,24,25,26)/t15-/m1/s1.
What are the key properties of N-[(2S)-2-(2-methylfuro[3,2-b]pyridin-7-yl)propyl]-6-(4-methylphenyl)pyrimidin-4-amine?
N-[(2S)-2-(2-methylfuro[3,2-b]pyridin-7-yl)propyl]-6-(4-methylphenyl)pyrimidin-4-amine has a molecular weight of 358.45 g/mol, XLogP of 5.12, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-(2-methylfuro[3,2-b]pyridin-7-yl)propyl]-6-(4-methylphenyl)pyrimidin-4-amine is sourced from PubChem (CID 134212538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).