N-[(3-bromophenyl)methyl]-6-chloro-N,5-dimethyl-2-propan-2-ylpyrimidin-4-amine

C16H19BrClN3 — CID 80979906

IUPACN-[(3-bromophenyl)methyl]-6-chloro-N,5-dimethyl-2-propan-2-ylpyrimidin-4-amine
SMILESCc1c(Cl)nc(C(C)C)nc1N(C)Cc1cccc(Br)c1
InChIInChI=1S/C16H19BrClN3/c1-10(2)15-19-14(18)11(3)16(20-15)21(4)9-12-6-5-7-13(17)8-12/h5-8,10H,9H2,1-4H3
InChIKeyYDAQZIGFGRVTCJ-UHFFFAOYSA-N
MW368.71 g/mol
LogP4.96
Rot. Bonds4

About N-[(3-bromophenyl)methyl]-6-chloro-N,5-dimethyl-2-propan-2-ylpyrimidin-4-amine

N-[(3-bromophenyl)methyl]-6-chloro-N,5-dimethyl-2-propan-2-ylpyrimidin-4-amine (PubChem CID 80979906) has the molecular formula C16H19BrClN3 and a molecular weight of 368.71 g/mol. Its IUPAC name is N-[(3-bromophenyl)methyl]-6-chloro-N,5-dimethyl-2-propan-2-ylpyrimidin-4-amine.

Molecular Properties

Compound NameN-[(3-bromophenyl)methyl]-6-chloro-N,5-dimethyl-2-propan-2-ylpyrimidin-4-amine
PubChem CID80979906
Molecular FormulaC16H19BrClN3
Molecular Weight368.71 g/mol
Exact Mass367.05
IUPAC NameN-[(3-bromophenyl)methyl]-6-chloro-N,5-dimethyl-2-propan-2-ylpyrimidin-4-amine
SMILESCc1c(Cl)nc(C(C)C)nc1N(C)Cc1cccc(Br)c1
InChIInChI=1S/C16H19BrClN3/c1-10(2)15-19-14(18)11(3)16(20-15)21(4)9-12-6-5-7-13(17)8-12/h5-8,10H,9H2,1-4H3
InChIKeyYDAQZIGFGRVTCJ-UHFFFAOYSA-N
XLogP4.96
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.71
LogP ≤ 54.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

6-chloro-N,5-dimethyl-2-propan-2-yl-N-(pyridin-3-ylmethyl)pyrimidin-4-amine
CID 80970738
N-[(4-bromothiophen-2-yl)methyl]-6-chloro-N,5-dimethyl-2-propan-2-ylpyrimidin-4-amine
CID 80971700
3-N-[(3-bromophenyl)methyl]-3-N-methylpyrazine-2,3-diamine
CID 113228946
N-[(3-bromophenyl)methyl]-4-chloro-N-methylphthalazin-1-amine
CID 62141752
N-[(3-bromophenyl)methyl]-5-(chloromethyl)-N,2-dimethylpyrimidin-4-amine
CID 114215414
4-N-[(3-bromophenyl)methyl]-4-N,5-dimethyl-2-propylpyrimidine-4,6-diamine
CID 80986668
6-chloro-2-cyclopropyl-N-[(3-fluorophenyl)methyl]-N,5-dimethylpyrimidin-4-amine
CID 80979874
6-chloro-N-(3-methoxyphenyl)-N,5-dimethyl-2-propan-2-ylpyrimidin-4-amine
CID 80972238
3-[(3-bromophenyl)methyl-methylamino]pyrazine-2-carbonitrile
CID 62683505
4-N,5-dimethyl-4-N-[(4-methylphenyl)methyl]-2-propan-2-ylpyrimidine-4,6-diamine
CID 80981052
N-benzyl-2-tert-butyl-6-chloro-N,5-dimethylpyrimidin-4-amine
CID 80973830
2-[(3-bromophenyl)methyl-methylamino]-4-chloro-1,3-thiazole-5-carbaldehyde
CID 80688068

Frequently Asked Questions

What is the IUPAC name of N-[(3-bromophenyl)methyl]-6-chloro-N,5-dimethyl-2-propan-2-ylpyrimidin-4-amine?
The IUPAC name of N-[(3-bromophenyl)methyl]-6-chloro-N,5-dimethyl-2-propan-2-ylpyrimidin-4-amine (CID 80979906) is N-[(3-bromophenyl)methyl]-6-chloro-N,5-dimethyl-2-propan-2-ylpyrimidin-4-amine.
What is the SMILES notation for N-[(3-bromophenyl)methyl]-6-chloro-N,5-dimethyl-2-propan-2-ylpyrimidin-4-amine?
The canonical SMILES for N-[(3-bromophenyl)methyl]-6-chloro-N,5-dimethyl-2-propan-2-ylpyrimidin-4-amine is Cc1c(Cl)nc(C(C)C)nc1N(C)Cc1cccc(Br)c1.
What is the InChIKey of N-[(3-bromophenyl)methyl]-6-chloro-N,5-dimethyl-2-propan-2-ylpyrimidin-4-amine?
The InChIKey is YDAQZIGFGRVTCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19BrClN3/c1-10(2)15-19-14(18)11(3)16(20-15)21(4)9-12-6-5-7-13(17)8-12/h5-8,10H,9H2,1-4H3.
What are the key properties of N-[(3-bromophenyl)methyl]-6-chloro-N,5-dimethyl-2-propan-2-ylpyrimidin-4-amine?
N-[(3-bromophenyl)methyl]-6-chloro-N,5-dimethyl-2-propan-2-ylpyrimidin-4-amine has a molecular weight of 368.71 g/mol, XLogP of 4.96, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-bromophenyl)methyl]-6-chloro-N,5-dimethyl-2-propan-2-ylpyrimidin-4-amine is sourced from PubChem (CID 80979906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).