N-[(R)-cyclopropyl-(4-methyl-1,3-thiazol-2-yl)methyl]-6-methyl-2-pyridin-2-ylpyrimidin-4-amine

C18H19N5S — CID 97218088

IUPACN-[(R)-cyclopropyl-(4-methyl-1,3-thiazol-2-yl)methyl]-6-methyl-2-pyridin-2-ylpyrimidin-4-amine
SMILESCc1cc(N[C@@H](c2nc(C)cs2)C2CC2)nc(-c2ccccn2)n1
InChIInChI=1S/C18H19N5S/c1-11-9-15(23-17(20-11)14-5-3-4-8-19-14)22-16(13-6-7-13)18-21-12(2)10-24-18/h3-5,8-10,13,16H,6-7H2,1-2H3,(H,20,22,23)/t16-/m1/s1
InChIKeySKZJAZMVYZTUHK-MRXNPFEDSA-N
MW337.45 g/mol
LogP4.18
Rot. Bonds5

About N-[(R)-cyclopropyl-(4-methyl-1,3-thiazol-2-yl)methyl]-6-methyl-2-pyridin-2-ylpyrimidin-4-amine

N-[(R)-cyclopropyl-(4-methyl-1,3-thiazol-2-yl)methyl]-6-methyl-2-pyridin-2-ylpyrimidin-4-amine (PubChem CID 97218088) has the molecular formula C18H19N5S and a molecular weight of 337.45 g/mol. Its IUPAC name is N-[(R)-cyclopropyl-(4-methyl-1,3-thiazol-2-yl)methyl]-6-methyl-2-pyridin-2-ylpyrimidin-4-amine.

Molecular Properties

Compound NameN-[(R)-cyclopropyl-(4-methyl-1,3-thiazol-2-yl)methyl]-6-methyl-2-pyridin-2-ylpyrimidin-4-amine
PubChem CID97218088
Molecular FormulaC18H19N5S
Molecular Weight337.45 g/mol
Exact Mass337.14
IUPAC NameN-[(R)-cyclopropyl-(4-methyl-1,3-thiazol-2-yl)methyl]-6-methyl-2-pyridin-2-ylpyrimidin-4-amine
SMILESCc1cc(N[C@@H](c2nc(C)cs2)C2CC2)nc(-c2ccccn2)n1
InChIInChI=1S/C18H19N5S/c1-11-9-15(23-17(20-11)14-5-3-4-8-19-14)22-16(13-6-7-13)18-21-12(2)10-24-18/h3-5,8-10,13,16H,6-7H2,1-2H3,(H,20,22,23)/t16-/m1/s1
InChIKeySKZJAZMVYZTUHK-MRXNPFEDSA-N
XLogP4.18
TPSA63.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.45
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(R)-cyclopropyl-(4-methyl-1,3-thiazol-2-yl)methyl]-6-methyl-2-pyridin-2-ylpyrimidin-4-amine?
The IUPAC name of N-[(R)-cyclopropyl-(4-methyl-1,3-thiazol-2-yl)methyl]-6-methyl-2-pyridin-2-ylpyrimidin-4-amine (CID 97218088) is N-[(R)-cyclopropyl-(4-methyl-1,3-thiazol-2-yl)methyl]-6-methyl-2-pyridin-2-ylpyrimidin-4-amine.
What is the SMILES notation for N-[(R)-cyclopropyl-(4-methyl-1,3-thiazol-2-yl)methyl]-6-methyl-2-pyridin-2-ylpyrimidin-4-amine?
The canonical SMILES for N-[(R)-cyclopropyl-(4-methyl-1,3-thiazol-2-yl)methyl]-6-methyl-2-pyridin-2-ylpyrimidin-4-amine is Cc1cc(N[C@@H](c2nc(C)cs2)C2CC2)nc(-c2ccccn2)n1.
What is the InChIKey of N-[(R)-cyclopropyl-(4-methyl-1,3-thiazol-2-yl)methyl]-6-methyl-2-pyridin-2-ylpyrimidin-4-amine?
The InChIKey is SKZJAZMVYZTUHK-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H19N5S/c1-11-9-15(23-17(20-11)14-5-3-4-8-19-14)22-16(13-6-7-13)18-21-12(2)10-24-18/h3-5,8-10,13,16H,6-7H2,1-2H3,(H,20,22,23)/t16-/m1/s1.
What are the key properties of N-[(R)-cyclopropyl-(4-methyl-1,3-thiazol-2-yl)methyl]-6-methyl-2-pyridin-2-ylpyrimidin-4-amine?
N-[(R)-cyclopropyl-(4-methyl-1,3-thiazol-2-yl)methyl]-6-methyl-2-pyridin-2-ylpyrimidin-4-amine has a molecular weight of 337.45 g/mol, XLogP of 4.18, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(R)-cyclopropyl-(4-methyl-1,3-thiazol-2-yl)methyl]-6-methyl-2-pyridin-2-ylpyrimidin-4-amine is sourced from PubChem (CID 97218088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).