2-[[bis(2-methylpropyl)amino]methyl]-6-methylpyrimidin-4-amine

C14H26N4 — CID 80657248

IUPAC2-[[bis(2-methylpropyl)amino]methyl]-6-methylpyrimidin-4-amine
SMILESCc1cc(N)nc(CN(CC(C)C)CC(C)C)n1
InChIInChI=1S/C14H26N4/c1-10(2)7-18(8-11(3)4)9-14-16-12(5)6-13(15)17-14/h6,10-11H,7-9H2,1-5H3,(H2,15,16,17)
InChIKeyGBDJKMOTAZRLPA-UHFFFAOYSA-N
MW250.39 g/mol
LogP2.48
Rot. Bonds6

About 2-[[bis(2-methylpropyl)amino]methyl]-6-methylpyrimidin-4-amine

2-[[bis(2-methylpropyl)amino]methyl]-6-methylpyrimidin-4-amine (PubChem CID 80657248) has the molecular formula C14H26N4 and a molecular weight of 250.39 g/mol. Its IUPAC name is 2-[[bis(2-methylpropyl)amino]methyl]-6-methylpyrimidin-4-amine.

Molecular Properties

Compound Name2-[[bis(2-methylpropyl)amino]methyl]-6-methylpyrimidin-4-amine
PubChem CID80657248
Molecular FormulaC14H26N4
Molecular Weight250.39 g/mol
Exact Mass250.22
IUPAC Name2-[[bis(2-methylpropyl)amino]methyl]-6-methylpyrimidin-4-amine
SMILESCc1cc(N)nc(CN(CC(C)C)CC(C)C)n1
InChIInChI=1S/C14H26N4/c1-10(2)7-18(8-11(3)4)9-14-16-12(5)6-13(15)17-14/h6,10-11H,7-9H2,1-5H3,(H2,15,16,17)
InChIKeyGBDJKMOTAZRLPA-UHFFFAOYSA-N
XLogP2.48
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[bis(2-methylpropyl)amino]methyl]-6-methylpyrimidin-4-amine?
The IUPAC name of 2-[[bis(2-methylpropyl)amino]methyl]-6-methylpyrimidin-4-amine (CID 80657248) is 2-[[bis(2-methylpropyl)amino]methyl]-6-methylpyrimidin-4-amine.
What is the SMILES notation for 2-[[bis(2-methylpropyl)amino]methyl]-6-methylpyrimidin-4-amine?
The canonical SMILES for 2-[[bis(2-methylpropyl)amino]methyl]-6-methylpyrimidin-4-amine is Cc1cc(N)nc(CN(CC(C)C)CC(C)C)n1.
What is the InChIKey of 2-[[bis(2-methylpropyl)amino]methyl]-6-methylpyrimidin-4-amine?
The InChIKey is GBDJKMOTAZRLPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4/c1-10(2)7-18(8-11(3)4)9-14-16-12(5)6-13(15)17-14/h6,10-11H,7-9H2,1-5H3,(H2,15,16,17).
What are the key properties of 2-[[bis(2-methylpropyl)amino]methyl]-6-methylpyrimidin-4-amine?
2-[[bis(2-methylpropyl)amino]methyl]-6-methylpyrimidin-4-amine has a molecular weight of 250.39 g/mol, XLogP of 2.48, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[bis(2-methylpropyl)amino]methyl]-6-methylpyrimidin-4-amine is sourced from PubChem (CID 80657248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).