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

C14H17BrClN3S — CID 80971700

IUPACN-[(4-bromothiophen-2-yl)methyl]-6-chloro-N,5-dimethyl-2-propan-2-ylpyrimidin-4-amine
SMILESCc1c(Cl)nc(C(C)C)nc1N(C)Cc1cc(Br)cs1
InChIInChI=1S/C14H17BrClN3S/c1-8(2)13-17-12(16)9(3)14(18-13)19(4)6-11-5-10(15)7-20-11/h5,7-8H,6H2,1-4H3
InChIKeyCVNVRUHBEDQEGO-UHFFFAOYSA-N
MW374.74 g/mol
LogP5.02
Rot. Bonds4

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

N-[(4-bromothiophen-2-yl)methyl]-6-chloro-N,5-dimethyl-2-propan-2-ylpyrimidin-4-amine (PubChem CID 80971700) has the molecular formula C14H17BrClN3S and a molecular weight of 374.74 g/mol. Its IUPAC name is N-[(4-bromothiophen-2-yl)methyl]-6-chloro-N,5-dimethyl-2-propan-2-ylpyrimidin-4-amine.

Molecular Properties

Compound NameN-[(4-bromothiophen-2-yl)methyl]-6-chloro-N,5-dimethyl-2-propan-2-ylpyrimidin-4-amine
PubChem CID80971700
Molecular FormulaC14H17BrClN3S
Molecular Weight374.74 g/mol
Exact Mass373.00
IUPAC NameN-[(4-bromothiophen-2-yl)methyl]-6-chloro-N,5-dimethyl-2-propan-2-ylpyrimidin-4-amine
SMILESCc1c(Cl)nc(C(C)C)nc1N(C)Cc1cc(Br)cs1
InChIInChI=1S/C14H17BrClN3S/c1-8(2)13-17-12(16)9(3)14(18-13)19(4)6-11-5-10(15)7-20-11/h5,7-8H,6H2,1-4H3
InChIKeyCVNVRUHBEDQEGO-UHFFFAOYSA-N
XLogP5.02
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.74
LogP ≤ 55.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-[(4-bromothiophen-2-yl)methyl]-6-chloro-N,5-dimethyl-2-propan-2-ylpyrimidin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(4-bromothiophen-2-yl)methyl]-6-chloro-N,2,5-trimethylpyrimidin-4-amine
CID 63729831
N-[(3-bromophenyl)methyl]-6-chloro-N,5-dimethyl-2-propan-2-ylpyrimidin-4-amine
CID 80979906
N-[(5-bromothiophen-3-yl)methyl]-6-hydrazinyl-N,5-dimethyl-2-propan-2-ylpyrimidin-4-amine
CID 80994923
N-[(4-bromothiophen-2-yl)methyl]-6-chloro-N-methylpyrazin-2-amine
CID 61362401
6-chloro-N-ethyl-5-methyl-N,2-di(propan-2-yl)pyrimidin-4-amine
CID 80970520
N-[(4-bromothiophen-2-yl)methyl]-6-chloro-N-methyl-5-nitropyrimidin-4-amine
CID 62101199
4-N,5-dimethyl-4-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-propan-2-ylpyrimidine-4,6-diamine
CID 80982639
4-(1-aminoethyl)-N-[(4-bromothiophen-2-yl)methyl]-N-methyl-1,3-thiazol-2-amine
CID 64543755
4-N-[(4-bromothiophen-2-yl)methyl]-4-N-methylpyrimidine-4,5-diamine
CID 79915755
N-[(4-bromothiophen-2-yl)methyl]-N,3,5-trimethylaniline
CID 55193368
3-(1-aminoethyl)-N-[(4-bromothiophen-2-yl)methyl]-N-methylpyridin-2-amine
CID 114055996
2-[(4-bromothiophen-2-yl)methyl-methylamino]-4-chloro-1,3-thiazole-5-carboxylic acid
CID 80688292

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromothiophen-2-yl)methyl]-6-chloro-N,5-dimethyl-2-propan-2-ylpyrimidin-4-amine?
The IUPAC name of N-[(4-bromothiophen-2-yl)methyl]-6-chloro-N,5-dimethyl-2-propan-2-ylpyrimidin-4-amine (CID 80971700) is N-[(4-bromothiophen-2-yl)methyl]-6-chloro-N,5-dimethyl-2-propan-2-ylpyrimidin-4-amine.
What is the SMILES notation for N-[(4-bromothiophen-2-yl)methyl]-6-chloro-N,5-dimethyl-2-propan-2-ylpyrimidin-4-amine?
The canonical SMILES for N-[(4-bromothiophen-2-yl)methyl]-6-chloro-N,5-dimethyl-2-propan-2-ylpyrimidin-4-amine is Cc1c(Cl)nc(C(C)C)nc1N(C)Cc1cc(Br)cs1.
What is the InChIKey of N-[(4-bromothiophen-2-yl)methyl]-6-chloro-N,5-dimethyl-2-propan-2-ylpyrimidin-4-amine?
The InChIKey is CVNVRUHBEDQEGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrClN3S/c1-8(2)13-17-12(16)9(3)14(18-13)19(4)6-11-5-10(15)7-20-11/h5,7-8H,6H2,1-4H3.
What are the key properties of N-[(4-bromothiophen-2-yl)methyl]-6-chloro-N,5-dimethyl-2-propan-2-ylpyrimidin-4-amine?
N-[(4-bromothiophen-2-yl)methyl]-6-chloro-N,5-dimethyl-2-propan-2-ylpyrimidin-4-amine has a molecular weight of 374.74 g/mol, XLogP of 5.02, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromothiophen-2-yl)methyl]-6-chloro-N,5-dimethyl-2-propan-2-ylpyrimidin-4-amine is sourced from PubChem (CID 80971700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).