N-[(2-amino-5-bromo-3-pyridinyl)methyl]-2-butyl-6-methylpyrimidin-4-amine

C15H20BrN5 — CID 100758556

IUPACN-[(2-amino-5-bromo-3-pyridinyl)methyl]-2-butyl-6-methylpyrimidin-4-amine
SMILESCCCCc1nc(C)cc(NCc2cc(Br)cnc2N)n1
InChIInChI=1S/C15H20BrN5/c1-3-4-5-13-20-10(2)6-14(21-13)18-8-11-7-12(16)9-19-15(11)17/h6-7,9H,3-5,8H2,1-2H3,(H2,17,19)(H,18,20,21)
InChIKeyHDQQTHNDVIDKFF-UHFFFAOYSA-N
MW350.26 g/mol
LogP3.48
Rot. Bonds6

About N-[(2-amino-5-bromo-3-pyridinyl)methyl]-2-butyl-6-methylpyrimidin-4-amine

N-[(2-amino-5-bromo-3-pyridinyl)methyl]-2-butyl-6-methylpyrimidin-4-amine (PubChem CID 100758556) has the molecular formula C15H20BrN5 and a molecular weight of 350.26 g/mol. Its IUPAC name is N-[(2-amino-5-bromo-3-pyridinyl)methyl]-2-butyl-6-methylpyrimidin-4-amine.

Molecular Properties

Compound NameN-[(2-amino-5-bromo-3-pyridinyl)methyl]-2-butyl-6-methylpyrimidin-4-amine
PubChem CID100758556
Molecular FormulaC15H20BrN5
Molecular Weight350.26 g/mol
Exact Mass349.09
IUPAC NameN-[(2-amino-5-bromo-3-pyridinyl)methyl]-2-butyl-6-methylpyrimidin-4-amine
SMILESCCCCc1nc(C)cc(NCc2cc(Br)cnc2N)n1
InChIInChI=1S/C15H20BrN5/c1-3-4-5-13-20-10(2)6-14(21-13)18-8-11-7-12(16)9-19-15(11)17/h6-7,9H,3-5,8H2,1-2H3,(H2,17,19)(H,18,20,21)
InChIKeyHDQQTHNDVIDKFF-UHFFFAOYSA-N
XLogP3.48
TPSA76.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.26
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(2-amino-5-bromo-3-pyridinyl)methyl]-2-butyl-6-methylpyrimidin-4-amine?
The IUPAC name of N-[(2-amino-5-bromo-3-pyridinyl)methyl]-2-butyl-6-methylpyrimidin-4-amine (CID 100758556) is N-[(2-amino-5-bromo-3-pyridinyl)methyl]-2-butyl-6-methylpyrimidin-4-amine.
What is the SMILES notation for N-[(2-amino-5-bromo-3-pyridinyl)methyl]-2-butyl-6-methylpyrimidin-4-amine?
The canonical SMILES for N-[(2-amino-5-bromo-3-pyridinyl)methyl]-2-butyl-6-methylpyrimidin-4-amine is CCCCc1nc(C)cc(NCc2cc(Br)cnc2N)n1.
What is the InChIKey of N-[(2-amino-5-bromo-3-pyridinyl)methyl]-2-butyl-6-methylpyrimidin-4-amine?
The InChIKey is HDQQTHNDVIDKFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrN5/c1-3-4-5-13-20-10(2)6-14(21-13)18-8-11-7-12(16)9-19-15(11)17/h6-7,9H,3-5,8H2,1-2H3,(H2,17,19)(H,18,20,21).
What are the key properties of N-[(2-amino-5-bromo-3-pyridinyl)methyl]-2-butyl-6-methylpyrimidin-4-amine?
N-[(2-amino-5-bromo-3-pyridinyl)methyl]-2-butyl-6-methylpyrimidin-4-amine has a molecular weight of 350.26 g/mol, XLogP of 3.48, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-amino-5-bromo-3-pyridinyl)methyl]-2-butyl-6-methylpyrimidin-4-amine is sourced from PubChem (CID 100758556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).