N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1,4,5,6-tetrahydropyrimidin-2-amine

C9H14N4S — CID 110918593

IUPACN-[(2-methyl-1,3-thiazol-5-yl)methyl]-1,4,5,6-tetrahydropyrimidin-2-amine
SMILESCc1ncc(CNC2=NCCCN2)s1
InChIInChI=1S/C9H14N4S/c1-7-12-5-8(14-7)6-13-9-10-3-2-4-11-9/h5H,2-4,6H2,1H3,(H2,10,11,13)
InChIKeyMPMHTWVJURHQQE-UHFFFAOYSA-N
MW210.31 g/mol
LogP0.89
Rot. Bonds2

About N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1,4,5,6-tetrahydropyrimidin-2-amine

N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1,4,5,6-tetrahydropyrimidin-2-amine (PubChem CID 110918593) has the molecular formula C9H14N4S and a molecular weight of 210.31 g/mol. Its IUPAC name is N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1,4,5,6-tetrahydropyrimidin-2-amine.

Molecular Properties

Compound NameN-[(2-methyl-1,3-thiazol-5-yl)methyl]-1,4,5,6-tetrahydropyrimidin-2-amine
PubChem CID110918593
Molecular FormulaC9H14N4S
Molecular Weight210.31 g/mol
Exact Mass210.09
IUPAC NameN-[(2-methyl-1,3-thiazol-5-yl)methyl]-1,4,5,6-tetrahydropyrimidin-2-amine
SMILESCc1ncc(CNC2=NCCCN2)s1
InChIInChI=1S/C9H14N4S/c1-7-12-5-8(14-7)6-13-9-10-3-2-4-11-9/h5H,2-4,6H2,1H3,(H2,10,11,13)
InChIKeyMPMHTWVJURHQQE-UHFFFAOYSA-N
XLogP0.89
TPSA49.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.31
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(thiadiazol-5-ylmethyl)-1,4,5,6-tetrahydropyrimidin-2-amine
CID 130952141
5-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-4,5-dihydro-1H-imidazol-2-amine
CID 120970387
5-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1,3,4-thiadiazol-2-amine
CID 65209607
N,N-diethyl-5-[(1,4,5,6-tetrahydropyrimidin-2-ylamino)methyl]thiophene-2-sulfonamide
CID 119112903
2,6-dimethyl-4-[(1,4,5,6-tetrahydropyrimidin-2-ylamino)methyl]phenol
CID 110927318
1,1-dimethyl-2-[(2-methyl-1,3-thiazol-5-yl)methyl]hydrazine
CID 83003423
N-[[4-(dimethylamino)phenyl]methyl]-1,4,5,6-tetrahydropyrimidin-2-amine;hydroiodide
CID 75480286
N-[(2-methoxy-3-pyridinyl)methyl]-1,4,5,6-tetrahydropyrimidin-2-amine
CID 110914871
N-[[2-[(dimethylamino)methyl]phenyl]methyl]-1,4,5,6-tetrahydropyrimidin-2-amine;hydroiodide
CID 110913867
5-methyl-3-N-[(2-methyl-1,3-thiazol-5-yl)methyl]benzene-1,3-diamine
CID 112647291
2,3,4-trifluoro-N-[(2-methyl-1,3-thiazol-5-yl)methyl]aniline
CID 54868744
N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]-1,4,5,6-tetrahydropyrimidin-2-amine
CID 110914624

Frequently Asked Questions

What is the IUPAC name of N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1,4,5,6-tetrahydropyrimidin-2-amine?
The IUPAC name of N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1,4,5,6-tetrahydropyrimidin-2-amine (CID 110918593) is N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1,4,5,6-tetrahydropyrimidin-2-amine.
What is the SMILES notation for N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1,4,5,6-tetrahydropyrimidin-2-amine?
The canonical SMILES for N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1,4,5,6-tetrahydropyrimidin-2-amine is Cc1ncc(CNC2=NCCCN2)s1.
What is the InChIKey of N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1,4,5,6-tetrahydropyrimidin-2-amine?
The InChIKey is MPMHTWVJURHQQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4S/c1-7-12-5-8(14-7)6-13-9-10-3-2-4-11-9/h5H,2-4,6H2,1H3,(H2,10,11,13).
What are the key properties of N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1,4,5,6-tetrahydropyrimidin-2-amine?
N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1,4,5,6-tetrahydropyrimidin-2-amine has a molecular weight of 210.31 g/mol, XLogP of 0.89, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1,4,5,6-tetrahydropyrimidin-2-amine is sourced from PubChem (CID 110918593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).