5-bromo-6-propan-2-yl-N-propylpyrimidin-4-amine

C10H16BrN3 — CID 66300318

IUPAC5-bromo-6-propan-2-yl-N-propylpyrimidin-4-amine
SMILESCCCNc1ncnc(C(C)C)c1Br
InChIInChI=1S/C10H16BrN3/c1-4-5-12-10-8(11)9(7(2)3)13-6-14-10/h6-7H,4-5H2,1-3H3,(H,12,13,14)
InChIKeySLAWQFZDMPWAFL-UHFFFAOYSA-N
MW258.16 g/mol
LogP3.18
Rot. Bonds4

About 5-bromo-6-propan-2-yl-N-propylpyrimidin-4-amine

5-bromo-6-propan-2-yl-N-propylpyrimidin-4-amine (PubChem CID 66300318) has the molecular formula C10H16BrN3 and a molecular weight of 258.16 g/mol. Its IUPAC name is 5-bromo-6-propan-2-yl-N-propylpyrimidin-4-amine.

Molecular Properties

Compound Name5-bromo-6-propan-2-yl-N-propylpyrimidin-4-amine
PubChem CID66300318
Molecular FormulaC10H16BrN3
Molecular Weight258.16 g/mol
Exact Mass257.05
IUPAC Name5-bromo-6-propan-2-yl-N-propylpyrimidin-4-amine
SMILESCCCNc1ncnc(C(C)C)c1Br
InChIInChI=1S/C10H16BrN3/c1-4-5-12-10-8(11)9(7(2)3)13-6-14-10/h6-7H,4-5H2,1-3H3,(H,12,13,14)
InChIKeySLAWQFZDMPWAFL-UHFFFAOYSA-N
XLogP3.18
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.16
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-4-N-(2-methylsulfanylpropyl)-6-N-propylpyrimidine-4,6-diamine
CID 114072744
5-bromo-6-N-propyl-4-N-(3,3,3-trifluoropropyl)pyrimidine-4,6-diamine
CID 114072281
5-bromo-4-N-(2-methylsulfonylethyl)-6-N-propylpyrimidine-4,6-diamine
CID 114072014
5-bromo-2-butan-2-yl-6-propan-2-yl-N-propylpyrimidin-4-amine
CID 66299335
5-bromo-4-N-(2-methyl-2-methylsulfanylpropyl)-6-N-propylpyrimidine-4,6-diamine
CID 114072758
5-bromo-6-phenyl-N-propylpyrimidin-4-amine
CID 66294940
3-[[5-bromo-6-(propylamino)pyrimidin-4-yl]amino]-2-methylsulfanylbutan-1-ol
CID 106163553
5-bromo-4-N-(cyclobutylmethyl)-6-N-propylpyrimidine-4,6-diamine
CID 114071957
4-N-hexyl-5-propan-2-yl-6-N-propylpyrimidine-4,6-diamine
CID 80836424
5-bromo-4-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-6-N-propylpyrimidine-4,6-diamine
CID 106411995
5-bromo-2-(methylsulfanylmethyl)-6-propan-2-yl-N-propylpyrimidin-4-amine
CID 66299727
5-bromo-2-cyclopropyl-6-propan-2-yl-N-propylpyrimidin-4-amine
CID 66299922

Frequently Asked Questions

What is the IUPAC name of 5-bromo-6-propan-2-yl-N-propylpyrimidin-4-amine?
The IUPAC name of 5-bromo-6-propan-2-yl-N-propylpyrimidin-4-amine (CID 66300318) is 5-bromo-6-propan-2-yl-N-propylpyrimidin-4-amine.
What is the SMILES notation for 5-bromo-6-propan-2-yl-N-propylpyrimidin-4-amine?
The canonical SMILES for 5-bromo-6-propan-2-yl-N-propylpyrimidin-4-amine is CCCNc1ncnc(C(C)C)c1Br.
What is the InChIKey of 5-bromo-6-propan-2-yl-N-propylpyrimidin-4-amine?
The InChIKey is SLAWQFZDMPWAFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16BrN3/c1-4-5-12-10-8(11)9(7(2)3)13-6-14-10/h6-7H,4-5H2,1-3H3,(H,12,13,14).
What are the key properties of 5-bromo-6-propan-2-yl-N-propylpyrimidin-4-amine?
5-bromo-6-propan-2-yl-N-propylpyrimidin-4-amine has a molecular weight of 258.16 g/mol, XLogP of 3.18, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-6-propan-2-yl-N-propylpyrimidin-4-amine is sourced from PubChem (CID 66300318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).