4-N-(2-aminoethyl)-6-butyl-4-N-methylpyrimidine-2,4-diamine

C11H21N5 — CID 24992078

IUPAC4-N-(2-aminoethyl)-6-butyl-4-N-methylpyrimidine-2,4-diamine
SMILESCCCCc1cc(N(C)CCN)nc(N)n1
InChIInChI=1S/C11H21N5/c1-3-4-5-9-8-10(15-11(13)14-9)16(2)7-6-12/h8H,3-7,12H2,1-2H3,(H2,13,14,15)
InChIKeyUUKFBJJOHGRSDE-UHFFFAOYSA-N
MW223.32 g/mol
LogP0.80
Rot. Bonds6

About 4-N-(2-aminoethyl)-6-butyl-4-N-methylpyrimidine-2,4-diamine

4-N-(2-aminoethyl)-6-butyl-4-N-methylpyrimidine-2,4-diamine (PubChem CID 24992078) has the molecular formula C11H21N5 and a molecular weight of 223.32 g/mol. Its IUPAC name is 4-N-(2-aminoethyl)-6-butyl-4-N-methylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-(2-aminoethyl)-6-butyl-4-N-methylpyrimidine-2,4-diamine
PubChem CID24992078
Molecular FormulaC11H21N5
Molecular Weight223.32 g/mol
Exact Mass223.18
IUPAC Name4-N-(2-aminoethyl)-6-butyl-4-N-methylpyrimidine-2,4-diamine
SMILESCCCCc1cc(N(C)CCN)nc(N)n1
InChIInChI=1S/C11H21N5/c1-3-4-5-9-8-10(15-11(13)14-9)16(2)7-6-12/h8H,3-7,12H2,1-2H3,(H2,13,14,15)
InChIKeyUUKFBJJOHGRSDE-UHFFFAOYSA-N
XLogP0.80
TPSA81.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-N-(2-aminoethyl)-6-butyl-4-N-methylpyrimidine-2,4-diamine?
The IUPAC name of 4-N-(2-aminoethyl)-6-butyl-4-N-methylpyrimidine-2,4-diamine (CID 24992078) is 4-N-(2-aminoethyl)-6-butyl-4-N-methylpyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-(2-aminoethyl)-6-butyl-4-N-methylpyrimidine-2,4-diamine?
The canonical SMILES for 4-N-(2-aminoethyl)-6-butyl-4-N-methylpyrimidine-2,4-diamine is CCCCc1cc(N(C)CCN)nc(N)n1.
What is the InChIKey of 4-N-(2-aminoethyl)-6-butyl-4-N-methylpyrimidine-2,4-diamine?
The InChIKey is UUKFBJJOHGRSDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N5/c1-3-4-5-9-8-10(15-11(13)14-9)16(2)7-6-12/h8H,3-7,12H2,1-2H3,(H2,13,14,15).
What are the key properties of 4-N-(2-aminoethyl)-6-butyl-4-N-methylpyrimidine-2,4-diamine?
4-N-(2-aminoethyl)-6-butyl-4-N-methylpyrimidine-2,4-diamine has a molecular weight of 223.32 g/mol, XLogP of 0.80, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2-aminoethyl)-6-butyl-4-N-methylpyrimidine-2,4-diamine is sourced from PubChem (CID 24992078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).