5-bromo-4-N-(cyclopropylmethyl)-4-N-methyl-6-N-propylpyrimidine-4,6-diamine

C12H19BrN4 — CID 114072016

IUPAC5-bromo-4-N-(cyclopropylmethyl)-4-N-methyl-6-N-propylpyrimidine-4,6-diamine
SMILESCCCNc1ncnc(N(C)CC2CC2)c1Br
InChIInChI=1S/C12H19BrN4/c1-3-6-14-11-10(13)12(16-8-15-11)17(2)7-9-4-5-9/h8-9H,3-7H2,1-2H3,(H,14,15,16)
InChIKeyHEXARTMVGRPZDF-UHFFFAOYSA-N
MW299.22 g/mol
LogP2.91
Rot. Bonds6

About 5-bromo-4-N-(cyclopropylmethyl)-4-N-methyl-6-N-propylpyrimidine-4,6-diamine

5-bromo-4-N-(cyclopropylmethyl)-4-N-methyl-6-N-propylpyrimidine-4,6-diamine (PubChem CID 114072016) has the molecular formula C12H19BrN4 and a molecular weight of 299.22 g/mol. Its IUPAC name is 5-bromo-4-N-(cyclopropylmethyl)-4-N-methyl-6-N-propylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name5-bromo-4-N-(cyclopropylmethyl)-4-N-methyl-6-N-propylpyrimidine-4,6-diamine
PubChem CID114072016
Molecular FormulaC12H19BrN4
Molecular Weight299.22 g/mol
Exact Mass298.08
IUPAC Name5-bromo-4-N-(cyclopropylmethyl)-4-N-methyl-6-N-propylpyrimidine-4,6-diamine
SMILESCCCNc1ncnc(N(C)CC2CC2)c1Br
InChIInChI=1S/C12H19BrN4/c1-3-6-14-11-10(13)12(16-8-15-11)17(2)7-9-4-5-9/h8-9H,3-7H2,1-2H3,(H,14,15,16)
InChIKeyHEXARTMVGRPZDF-UHFFFAOYSA-N
XLogP2.91
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.22
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-(cyclopropylmethyl)-5-methyl-4-N,6-N-dipropylpyrimidine-4,6-diamine
CID 80799239
4-N-(cyclopropylmethyl)-4-N-ethyl-6-N,5-dipropylpyrimidine-4,6-diamine
CID 80839740
5-bromo-4-N-(cyclobutylmethyl)-6-N-propylpyrimidine-4,6-diamine
CID 114071957
5-ethyl-4-N-methyl-4-N-(oxan-3-ylmethyl)-6-N-propylpyrimidine-4,6-diamine
CID 80818393
5-bromo-4-N,6-N-dimethyl-4-N-[(1-methylpyrrolidin-3-yl)methyl]pyrimidine-4,6-diamine
CID 114072288
N-(cyclopropylmethyl)-5-ethyl-6-hydrazinyl-N-methylpyrimidin-4-amine
CID 80899182
4-N-(cyclopropylmethyl)-4-N-methyl-6-N-propylpyrimidine-4,6-diamine
CID 80796879
5-bromo-4-N-(3-methylcyclopentyl)-6-N-propylpyrimidine-4,6-diamine
CID 114072829
4-N-[2-(cyclopropylmethoxy)ethyl]-4-N,5-dimethyl-6-N-propylpyrimidine-4,6-diamine
CID 80851876
4-N-(4-ethylcyclohexyl)-4-N,5-dimethyl-6-N-propylpyrimidine-4,6-diamine
CID 80779258
4-N-(cyclohexylmethyl)-6-N-ethyl-4-N,5-dimethylpyrimidine-4,6-diamine
CID 80799644
5-bromo-4-N-(cyclobutylmethyl)-4-N-methyl-2-N-propylpyrimidine-2,4-diamine
CID 80825500

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-N-(cyclopropylmethyl)-4-N-methyl-6-N-propylpyrimidine-4,6-diamine?
The IUPAC name of 5-bromo-4-N-(cyclopropylmethyl)-4-N-methyl-6-N-propylpyrimidine-4,6-diamine (CID 114072016) is 5-bromo-4-N-(cyclopropylmethyl)-4-N-methyl-6-N-propylpyrimidine-4,6-diamine.
What is the SMILES notation for 5-bromo-4-N-(cyclopropylmethyl)-4-N-methyl-6-N-propylpyrimidine-4,6-diamine?
The canonical SMILES for 5-bromo-4-N-(cyclopropylmethyl)-4-N-methyl-6-N-propylpyrimidine-4,6-diamine is CCCNc1ncnc(N(C)CC2CC2)c1Br.
What is the InChIKey of 5-bromo-4-N-(cyclopropylmethyl)-4-N-methyl-6-N-propylpyrimidine-4,6-diamine?
The InChIKey is HEXARTMVGRPZDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19BrN4/c1-3-6-14-11-10(13)12(16-8-15-11)17(2)7-9-4-5-9/h8-9H,3-7H2,1-2H3,(H,14,15,16).
What are the key properties of 5-bromo-4-N-(cyclopropylmethyl)-4-N-methyl-6-N-propylpyrimidine-4,6-diamine?
5-bromo-4-N-(cyclopropylmethyl)-4-N-methyl-6-N-propylpyrimidine-4,6-diamine has a molecular weight of 299.22 g/mol, XLogP of 2.91, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-N-(cyclopropylmethyl)-4-N-methyl-6-N-propylpyrimidine-4,6-diamine is sourced from PubChem (CID 114072016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).