N-[(5-bromothiophen-2-yl)methyl]-6-propan-2-ylpyrimidin-4-amine

C12H14BrN3S — CID 61240171

IUPACN-[(5-bromothiophen-2-yl)methyl]-6-propan-2-ylpyrimidin-4-amine
SMILESCC(C)c1cc(NCc2ccc(Br)s2)ncn1
InChIInChI=1S/C12H14BrN3S/c1-8(2)10-5-12(16-7-15-10)14-6-9-3-4-11(13)17-9/h3-5,7-8H,6H2,1-2H3,(H,14,15,16)
InChIKeyHIPAPGNJNFGBSR-UHFFFAOYSA-N
MW312.24 g/mol
LogP4.04
Rot. Bonds4

About N-[(5-bromothiophen-2-yl)methyl]-6-propan-2-ylpyrimidin-4-amine

N-[(5-bromothiophen-2-yl)methyl]-6-propan-2-ylpyrimidin-4-amine (PubChem CID 61240171) has the molecular formula C12H14BrN3S and a molecular weight of 312.24 g/mol. Its IUPAC name is N-[(5-bromothiophen-2-yl)methyl]-6-propan-2-ylpyrimidin-4-amine.

Molecular Properties

Compound NameN-[(5-bromothiophen-2-yl)methyl]-6-propan-2-ylpyrimidin-4-amine
PubChem CID61240171
Molecular FormulaC12H14BrN3S
Molecular Weight312.24 g/mol
Exact Mass311.01
IUPAC NameN-[(5-bromothiophen-2-yl)methyl]-6-propan-2-ylpyrimidin-4-amine
SMILESCC(C)c1cc(NCc2ccc(Br)s2)ncn1
InChIInChI=1S/C12H14BrN3S/c1-8(2)10-5-12(16-7-15-10)14-6-9-3-4-11(13)17-9/h3-5,7-8H,6H2,1-2H3,(H,14,15,16)
InChIKeyHIPAPGNJNFGBSR-UHFFFAOYSA-N
XLogP4.04
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.24
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(5-bromothiophen-2-yl)ethyl]-6-propan-2-ylpyrimidin-4-amine
CID 113234131
N-[(5-bromothiophen-2-yl)methyl]pyrimidin-4-amine
CID 61253580
4-N-[(5-bromothiophen-2-yl)methyl]-6-N-methyl-5-propan-2-ylpyrimidine-4,6-diamine
CID 80837341
N-[(3-methylthiophen-2-yl)methyl]-6-propan-2-ylpyrimidin-4-amine
CID 78954788
N-[(2-ethylphenyl)methyl]-6-propan-2-ylpyrimidin-4-amine
CID 64695520
N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-6-propan-2-ylpyrimidin-4-amine
CID 113243842
N-(naphthalen-1-ylmethyl)-6-propan-2-ylpyrimidin-4-amine
CID 62368631
N-[(3-methyl-2-pyridinyl)methyl]-6-propan-2-ylpyrimidin-4-amine
CID 55204242
N'-propan-2-yl-N-(6-propan-2-ylpyrimidin-4-yl)ethane-1,2-diamine
CID 62663943
N-[(5-bromothiophen-2-yl)methyl]-5-methyl-4-nitropyridin-2-amine
CID 83268566
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-[(5-bromothiophen-2-yl)methyl]-6-propan-2-ylpyrimidin-4-amine?
The IUPAC name of N-[(5-bromothiophen-2-yl)methyl]-6-propan-2-ylpyrimidin-4-amine (CID 61240171) is N-[(5-bromothiophen-2-yl)methyl]-6-propan-2-ylpyrimidin-4-amine.
What is the SMILES notation for N-[(5-bromothiophen-2-yl)methyl]-6-propan-2-ylpyrimidin-4-amine?
The canonical SMILES for N-[(5-bromothiophen-2-yl)methyl]-6-propan-2-ylpyrimidin-4-amine is CC(C)c1cc(NCc2ccc(Br)s2)ncn1.
What is the InChIKey of N-[(5-bromothiophen-2-yl)methyl]-6-propan-2-ylpyrimidin-4-amine?
The InChIKey is HIPAPGNJNFGBSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrN3S/c1-8(2)10-5-12(16-7-15-10)14-6-9-3-4-11(13)17-9/h3-5,7-8H,6H2,1-2H3,(H,14,15,16).
What are the key properties of N-[(5-bromothiophen-2-yl)methyl]-6-propan-2-ylpyrimidin-4-amine?
N-[(5-bromothiophen-2-yl)methyl]-6-propan-2-ylpyrimidin-4-amine has a molecular weight of 312.24 g/mol, XLogP of 4.04, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromothiophen-2-yl)methyl]-6-propan-2-ylpyrimidin-4-amine is sourced from PubChem (CID 61240171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).