N-[(3-methylthiophen-2-yl)methyl]-6-propan-2-ylpyrimidin-4-amine

C13H17N3S — CID 78954788

IUPACN-[(3-methylthiophen-2-yl)methyl]-6-propan-2-ylpyrimidin-4-amine
SMILESCc1ccsc1CNc1cc(C(C)C)ncn1
InChIInChI=1S/C13H17N3S/c1-9(2)11-6-13(16-8-15-11)14-7-12-10(3)4-5-17-12/h4-6,8-9H,7H2,1-3H3,(H,14,15,16)
InChIKeyBLCHTUPPMSEOGF-UHFFFAOYSA-N
MW247.37 g/mol
LogP3.58
Rot. Bonds4

About N-[(3-methylthiophen-2-yl)methyl]-6-propan-2-ylpyrimidin-4-amine

N-[(3-methylthiophen-2-yl)methyl]-6-propan-2-ylpyrimidin-4-amine (PubChem CID 78954788) has the molecular formula C13H17N3S and a molecular weight of 247.37 g/mol. Its IUPAC name is N-[(3-methylthiophen-2-yl)methyl]-6-propan-2-ylpyrimidin-4-amine.

Molecular Properties

Compound NameN-[(3-methylthiophen-2-yl)methyl]-6-propan-2-ylpyrimidin-4-amine
PubChem CID78954788
Molecular FormulaC13H17N3S
Molecular Weight247.37 g/mol
Exact Mass247.11
IUPAC NameN-[(3-methylthiophen-2-yl)methyl]-6-propan-2-ylpyrimidin-4-amine
SMILESCc1ccsc1CNc1cc(C(C)C)ncn1
InChIInChI=1S/C13H17N3S/c1-9(2)11-6-13(16-8-15-11)14-7-12-10(3)4-5-17-12/h4-6,8-9H,7H2,1-3H3,(H,14,15,16)
InChIKeyBLCHTUPPMSEOGF-UHFFFAOYSA-N
XLogP3.58
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.37
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3-methyl-2-pyridinyl)methyl]-6-propan-2-ylpyrimidin-4-amine
CID 55204242
N-[(5-bromothiophen-2-yl)methyl]-6-propan-2-ylpyrimidin-4-amine
CID 61240171
4-[(3-methylthiophen-2-yl)methylamino]-1H-pyrimidin-6-one
CID 136976380
5-methyl-N-[(3-methylthiophen-2-yl)methyl]pyridin-2-amine
CID 112730229
N-[(2-ethylphenyl)methyl]-6-propan-2-ylpyrimidin-4-amine
CID 64695520
6-propan-2-yl-N-[2-(1,3-thiazol-2-yl)propan-2-yl]pyrimidin-4-amine
CID 114131317
N-(naphthalen-1-ylmethyl)-6-propan-2-ylpyrimidin-4-amine
CID 62368631
N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-6-propan-2-ylpyrimidin-4-amine
CID 113243842
N'-propan-2-yl-N-(6-propan-2-ylpyrimidin-4-yl)ethane-1,2-diamine
CID 62663943
N-(1H-imidazol-2-ylmethyl)-6-propan-2-ylpyrimidin-4-amine
CID 64531496
4-[[(6-propan-2-ylpyrimidin-4-yl)amino]methyl]benzoic acid
CID 61240544
6-propan-2-yl-N-prop-2-enylpyrimidin-4-amine
CID 62142623

Frequently Asked Questions

What is the IUPAC name of N-[(3-methylthiophen-2-yl)methyl]-6-propan-2-ylpyrimidin-4-amine?
The IUPAC name of N-[(3-methylthiophen-2-yl)methyl]-6-propan-2-ylpyrimidin-4-amine (CID 78954788) is N-[(3-methylthiophen-2-yl)methyl]-6-propan-2-ylpyrimidin-4-amine.
What is the SMILES notation for N-[(3-methylthiophen-2-yl)methyl]-6-propan-2-ylpyrimidin-4-amine?
The canonical SMILES for N-[(3-methylthiophen-2-yl)methyl]-6-propan-2-ylpyrimidin-4-amine is Cc1ccsc1CNc1cc(C(C)C)ncn1.
What is the InChIKey of N-[(3-methylthiophen-2-yl)methyl]-6-propan-2-ylpyrimidin-4-amine?
The InChIKey is BLCHTUPPMSEOGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3S/c1-9(2)11-6-13(16-8-15-11)14-7-12-10(3)4-5-17-12/h4-6,8-9H,7H2,1-3H3,(H,14,15,16).
What are the key properties of N-[(3-methylthiophen-2-yl)methyl]-6-propan-2-ylpyrimidin-4-amine?
N-[(3-methylthiophen-2-yl)methyl]-6-propan-2-ylpyrimidin-4-amine has a molecular weight of 247.37 g/mol, XLogP of 3.58, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methylthiophen-2-yl)methyl]-6-propan-2-ylpyrimidin-4-amine is sourced from PubChem (CID 78954788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).