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

C9H10N4S — CID 63831910

IUPACN-[2-(1,3-thiazol-4-yl)ethyl]pyrimidin-4-amine
SMILESc1cc(NCCc2cscn2)ncn1
InChIInChI=1S/C9H10N4S/c1(8-5-14-7-13-8)4-11-9-2-3-10-6-12-9/h2-3,5-7H,1,4H2,(H,10,11,12)
InChIKeyXUFNAKPSQQAUNC-UHFFFAOYSA-N
MW206.27 g/mol
LogP1.59
Rot. Bonds4

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

N-[2-(1,3-thiazol-4-yl)ethyl]pyrimidin-4-amine (PubChem CID 63831910) has the molecular formula C9H10N4S and a molecular weight of 206.27 g/mol. Its IUPAC name is N-[2-(1,3-thiazol-4-yl)ethyl]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[2-(1,3-thiazol-4-yl)ethyl]pyrimidin-4-amine
PubChem CID63831910
Molecular FormulaC9H10N4S
Molecular Weight206.27 g/mol
Exact Mass206.06
IUPAC NameN-[2-(1,3-thiazol-4-yl)ethyl]pyrimidin-4-amine
SMILESc1cc(NCCc2cscn2)ncn1
InChIInChI=1S/C9H10N4S/c1(8-5-14-7-13-8)4-11-9-2-3-10-6-12-9/h2-3,5-7H,1,4H2,(H,10,11,12)
InChIKeyXUFNAKPSQQAUNC-UHFFFAOYSA-N
XLogP1.59
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.27
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-tert-butyl-N-[2-(1,3-thiazol-4-yl)ethyl]pyridin-2-amine
CID 107874695
6-N-[2-(1,3-thiazol-4-yl)ethyl]pyridine-2,6-diamine
CID 80647285
6-methyl-N-[2-(1,3-thiazol-4-yl)ethyl]pyridin-2-amine
CID 63830272
6-[2-(1,3-thiazol-4-yl)ethylamino]pyridine-3-carbothioamide
CID 63826078
N-methyl-N'-pyrimidin-4-ylethane-1,2-diamine
CID 62658944
6-methyl-5-nitro-N-[2-(1,3-thiazol-4-yl)ethyl]pyridin-2-amine
CID 80711079
3-nitro-6-N-[2-(1,3-thiazol-4-yl)ethyl]pyridine-2,6-diamine
CID 79815784
N,N-dimethyl-6-[2-(1,3-thiazol-4-yl)ethylamino]pyridine-3-carboxamide
CID 79829668
4,5-dimethyl-2-N-[2-(1,3-thiazol-4-yl)ethyl]benzene-1,2-diamine
CID 114281261
4-ethoxy-N-[2-(1,3-thiazol-4-yl)ethyl]pyrimidin-2-amine
CID 112637712
ethane;N-ethylpyrimidin-4-amine
CID 167491074
5-[2-(1,3-thiazol-4-yl)ethylamino]pyridine-2-carbonitrile
CID 79829755

Frequently Asked Questions

What is the IUPAC name of N-[2-(1,3-thiazol-4-yl)ethyl]pyrimidin-4-amine?
The IUPAC name of N-[2-(1,3-thiazol-4-yl)ethyl]pyrimidin-4-amine (CID 63831910) is N-[2-(1,3-thiazol-4-yl)ethyl]pyrimidin-4-amine.
What is the SMILES notation for N-[2-(1,3-thiazol-4-yl)ethyl]pyrimidin-4-amine?
The canonical SMILES for N-[2-(1,3-thiazol-4-yl)ethyl]pyrimidin-4-amine is c1cc(NCCc2cscn2)ncn1.
What is the InChIKey of N-[2-(1,3-thiazol-4-yl)ethyl]pyrimidin-4-amine?
The InChIKey is XUFNAKPSQQAUNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N4S/c1(8-5-14-7-13-8)4-11-9-2-3-10-6-12-9/h2-3,5-7H,1,4H2,(H,10,11,12).
What are the key properties of N-[2-(1,3-thiazol-4-yl)ethyl]pyrimidin-4-amine?
N-[2-(1,3-thiazol-4-yl)ethyl]pyrimidin-4-amine has a molecular weight of 206.27 g/mol, XLogP of 1.59, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1,3-thiazol-4-yl)ethyl]pyrimidin-4-amine is sourced from PubChem (CID 63831910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).