N-[3-[2-(1-aminocyclobutyl)-1,3-thiazol-5-yl]-5-methylphenyl]-4-cyclopropylpyrimidin-2-amine

C21H23N5S — CID 58456299

IUPACN-[3-[2-(1-aminocyclobutyl)-1,3-thiazol-5-yl]-5-methylphenyl]-4-cyclopropylpyrimidin-2-amine
SMILESCc1cc(Nc2nccc(C3CC3)n2)cc(-c2cnc(C3(N)CCC3)s2)c1
InChIInChI=1S/C21H23N5S/c1-13-9-15(18-12-24-19(27-18)21(22)6-2-7-21)11-16(10-13)25-20-23-8-5-17(26-20)14-3-4-14/h5,8-12,14H,2-4,6-7,22H2,1H3,(H,23,25,26)
InChIKeyQUIORPAZCIVCMW-UHFFFAOYSA-N
MW377.52 g/mol
LogP4.87
Rot. Bonds5

About N-[3-[2-(1-aminocyclobutyl)-1,3-thiazol-5-yl]-5-methylphenyl]-4-cyclopropylpyrimidin-2-amine

N-[3-[2-(1-aminocyclobutyl)-1,3-thiazol-5-yl]-5-methylphenyl]-4-cyclopropylpyrimidin-2-amine (PubChem CID 58456299) has the molecular formula C21H23N5S and a molecular weight of 377.52 g/mol. Its IUPAC name is N-[3-[2-(1-aminocyclobutyl)-1,3-thiazol-5-yl]-5-methylphenyl]-4-cyclopropylpyrimidin-2-amine.

Molecular Properties

Compound NameN-[3-[2-(1-aminocyclobutyl)-1,3-thiazol-5-yl]-5-methylphenyl]-4-cyclopropylpyrimidin-2-amine
PubChem CID58456299
Molecular FormulaC21H23N5S
Molecular Weight377.52 g/mol
Exact Mass377.17
IUPAC NameN-[3-[2-(1-aminocyclobutyl)-1,3-thiazol-5-yl]-5-methylphenyl]-4-cyclopropylpyrimidin-2-amine
SMILESCc1cc(Nc2nccc(C3CC3)n2)cc(-c2cnc(C3(N)CCC3)s2)c1
InChIInChI=1S/C21H23N5S/c1-13-9-15(18-12-24-19(27-18)21(22)6-2-7-21)11-16(10-13)25-20-23-8-5-17(26-20)14-3-4-14/h5,8-12,14H,2-4,6-7,22H2,1H3,(H,23,25,26)
InChIKeyQUIORPAZCIVCMW-UHFFFAOYSA-N
XLogP4.87
TPSA76.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.52
LogP ≤ 54.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[3-[2-(1-aminocyclobutyl)-1,3-thiazol-5-yl]-5-methylphenyl]-4-cyclopropylpyrimidin-2-amine?
The IUPAC name of N-[3-[2-(1-aminocyclobutyl)-1,3-thiazol-5-yl]-5-methylphenyl]-4-cyclopropylpyrimidin-2-amine (CID 58456299) is N-[3-[2-(1-aminocyclobutyl)-1,3-thiazol-5-yl]-5-methylphenyl]-4-cyclopropylpyrimidin-2-amine.
What is the SMILES notation for N-[3-[2-(1-aminocyclobutyl)-1,3-thiazol-5-yl]-5-methylphenyl]-4-cyclopropylpyrimidin-2-amine?
The canonical SMILES for N-[3-[2-(1-aminocyclobutyl)-1,3-thiazol-5-yl]-5-methylphenyl]-4-cyclopropylpyrimidin-2-amine is Cc1cc(Nc2nccc(C3CC3)n2)cc(-c2cnc(C3(N)CCC3)s2)c1.
What is the InChIKey of N-[3-[2-(1-aminocyclobutyl)-1,3-thiazol-5-yl]-5-methylphenyl]-4-cyclopropylpyrimidin-2-amine?
The InChIKey is QUIORPAZCIVCMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5S/c1-13-9-15(18-12-24-19(27-18)21(22)6-2-7-21)11-16(10-13)25-20-23-8-5-17(26-20)14-3-4-14/h5,8-12,14H,2-4,6-7,22H2,1H3,(H,23,25,26).
What are the key properties of N-[3-[2-(1-aminocyclobutyl)-1,3-thiazol-5-yl]-5-methylphenyl]-4-cyclopropylpyrimidin-2-amine?
N-[3-[2-(1-aminocyclobutyl)-1,3-thiazol-5-yl]-5-methylphenyl]-4-cyclopropylpyrimidin-2-amine has a molecular weight of 377.52 g/mol, XLogP of 4.87, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-(1-aminocyclobutyl)-1,3-thiazol-5-yl]-5-methylphenyl]-4-cyclopropylpyrimidin-2-amine is sourced from PubChem (CID 58456299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).