6-(3-aminocyclobutyl)-N-[2-(1,3-thiazol-4-yl)ethyl]pyrimidin-4-amine

C13H17N5S — CID 91763527

IUPAC6-(3-aminocyclobutyl)-N-[2-(1,3-thiazol-4-yl)ethyl]pyrimidin-4-amine
SMILESNC1CC(c2cc(NCCc3cscn3)ncn2)C1
InChIInChI=1S/C13H17N5S/c14-10-3-9(4-10)12-5-13(17-7-16-12)15-2-1-11-6-19-8-18-11/h5-10H,1-4,14H2,(H,15,16,17)
InChIKeyOONMBJUETDXMKK-UHFFFAOYSA-N
MW275.38 g/mol
LogP1.79
Rot. Bonds5

About 6-(3-aminocyclobutyl)-N-[2-(1,3-thiazol-4-yl)ethyl]pyrimidin-4-amine

6-(3-aminocyclobutyl)-N-[2-(1,3-thiazol-4-yl)ethyl]pyrimidin-4-amine (PubChem CID 91763527) has the molecular formula C13H17N5S and a molecular weight of 275.38 g/mol. Its IUPAC name is 6-(3-aminocyclobutyl)-N-[2-(1,3-thiazol-4-yl)ethyl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-(3-aminocyclobutyl)-N-[2-(1,3-thiazol-4-yl)ethyl]pyrimidin-4-amine
PubChem CID91763527
Molecular FormulaC13H17N5S
Molecular Weight275.38 g/mol
Exact Mass275.12
IUPAC Name6-(3-aminocyclobutyl)-N-[2-(1,3-thiazol-4-yl)ethyl]pyrimidin-4-amine
SMILESNC1CC(c2cc(NCCc3cscn3)ncn2)C1
InChIInChI=1S/C13H17N5S/c14-10-3-9(4-10)12-5-13(17-7-16-12)15-2-1-11-6-19-8-18-11/h5-10H,1-4,14H2,(H,15,16,17)
InChIKeyOONMBJUETDXMKK-UHFFFAOYSA-N
XLogP1.79
TPSA76.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.38
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-cyclopropyl-4-(1-(2-(thiazol-4-yl)ethyl)piperidin-3-yl)pyrimidin-2-amine
CID 44591284
N~4~-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-5,6,7,8-tetrahydroquinazoline-2,4-diamine
CID 72888607
N~4~-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-5-ethyl-6-methylpyrimidine-2,4-diamine
CID 72896949
4-N-[3-(2-amino-1,3-thiazol-4-yl)propyl]-6-ethylpyrimidine-2,4-diamine
CID 134414944
2-[6-[4-[(2-Methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]pyrimidin-4-yl]ethanamine
CID 45174622
5-(2-Methyl-6-piperidin-3-ylpyrimidin-4-yl)-4,5,6,7-tetrahydro[1,3]thiazolo[5,4-c]pyridin-2-amine
CID 56712445
2-Methyl-4-[[4-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperidin-1-yl]methyl]-1,3-thiazole
CID 56882695
N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepin-4-amine
CID 56901872
N~4~-{[2-(dimethylamino)-1,3-thiazol-4-yl]methyl}-6-isopropylpyrimidine-2,4-diamine
CID 72842929
6-propan-2-yl-4-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]pyrimidine-2,4-diamine
CID 72882505
6-(1-Isopropylazetidin-3-YL)-2-methyl-N-(1,3-thiazol-2-YL)pyrimidin-4-amine
CID 95842476
4-methyl-N-[2-methyl-6-(1-propan-2-ylazetidin-3-yl)pyrimidin-4-yl]-1,3-thiazol-2-amine
CID 95842477

Frequently Asked Questions

What is the IUPAC name of 6-(3-aminocyclobutyl)-N-[2-(1,3-thiazol-4-yl)ethyl]pyrimidin-4-amine?
The IUPAC name of 6-(3-aminocyclobutyl)-N-[2-(1,3-thiazol-4-yl)ethyl]pyrimidin-4-amine (CID 91763527) is 6-(3-aminocyclobutyl)-N-[2-(1,3-thiazol-4-yl)ethyl]pyrimidin-4-amine.
What is the SMILES notation for 6-(3-aminocyclobutyl)-N-[2-(1,3-thiazol-4-yl)ethyl]pyrimidin-4-amine?
The canonical SMILES for 6-(3-aminocyclobutyl)-N-[2-(1,3-thiazol-4-yl)ethyl]pyrimidin-4-amine is NC1CC(c2cc(NCCc3cscn3)ncn2)C1.
What is the InChIKey of 6-(3-aminocyclobutyl)-N-[2-(1,3-thiazol-4-yl)ethyl]pyrimidin-4-amine?
The InChIKey is OONMBJUETDXMKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5S/c14-10-3-9(4-10)12-5-13(17-7-16-12)15-2-1-11-6-19-8-18-11/h5-10H,1-4,14H2,(H,15,16,17).
What are the key properties of 6-(3-aminocyclobutyl)-N-[2-(1,3-thiazol-4-yl)ethyl]pyrimidin-4-amine?
6-(3-aminocyclobutyl)-N-[2-(1,3-thiazol-4-yl)ethyl]pyrimidin-4-amine has a molecular weight of 275.38 g/mol, XLogP of 1.79, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-aminocyclobutyl)-N-[2-(1,3-thiazol-4-yl)ethyl]pyrimidin-4-amine is sourced from PubChem (CID 91763527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).