6-methyl-2-[[2-methylpropyl(propan-2-yl)amino]methyl]pyrimidin-4-amine

C13H24N4 — CID 80657267

IUPAC6-methyl-2-[[2-methylpropyl(propan-2-yl)amino]methyl]pyrimidin-4-amine
SMILESCc1cc(N)nc(CN(CC(C)C)C(C)C)n1
InChIInChI=1S/C13H24N4/c1-9(2)7-17(10(3)4)8-13-15-11(5)6-12(14)16-13/h6,9-10H,7-8H2,1-5H3,(H2,14,15,16)
InChIKeyGGLCQBSQPOSGCW-UHFFFAOYSA-N
MW236.36 g/mol
LogP2.23
Rot. Bonds5

About 6-methyl-2-[[2-methylpropyl(propan-2-yl)amino]methyl]pyrimidin-4-amine

6-methyl-2-[[2-methylpropyl(propan-2-yl)amino]methyl]pyrimidin-4-amine (PubChem CID 80657267) has the molecular formula C13H24N4 and a molecular weight of 236.36 g/mol. Its IUPAC name is 6-methyl-2-[[2-methylpropyl(propan-2-yl)amino]methyl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-methyl-2-[[2-methylpropyl(propan-2-yl)amino]methyl]pyrimidin-4-amine
PubChem CID80657267
Molecular FormulaC13H24N4
Molecular Weight236.36 g/mol
Exact Mass236.20
IUPAC Name6-methyl-2-[[2-methylpropyl(propan-2-yl)amino]methyl]pyrimidin-4-amine
SMILESCc1cc(N)nc(CN(CC(C)C)C(C)C)n1
InChIInChI=1S/C13H24N4/c1-9(2)7-17(10(3)4)8-13-15-11(5)6-12(14)16-13/h6,9-10H,7-8H2,1-5H3,(H2,14,15,16)
InChIKeyGGLCQBSQPOSGCW-UHFFFAOYSA-N
XLogP2.23
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-[[2-methylpropyl(propan-2-yl)amino]methyl]pyrimidin-4-amine?
The IUPAC name of 6-methyl-2-[[2-methylpropyl(propan-2-yl)amino]methyl]pyrimidin-4-amine (CID 80657267) is 6-methyl-2-[[2-methylpropyl(propan-2-yl)amino]methyl]pyrimidin-4-amine.
What is the SMILES notation for 6-methyl-2-[[2-methylpropyl(propan-2-yl)amino]methyl]pyrimidin-4-amine?
The canonical SMILES for 6-methyl-2-[[2-methylpropyl(propan-2-yl)amino]methyl]pyrimidin-4-amine is Cc1cc(N)nc(CN(CC(C)C)C(C)C)n1.
What is the InChIKey of 6-methyl-2-[[2-methylpropyl(propan-2-yl)amino]methyl]pyrimidin-4-amine?
The InChIKey is GGLCQBSQPOSGCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4/c1-9(2)7-17(10(3)4)8-13-15-11(5)6-12(14)16-13/h6,9-10H,7-8H2,1-5H3,(H2,14,15,16).
What are the key properties of 6-methyl-2-[[2-methylpropyl(propan-2-yl)amino]methyl]pyrimidin-4-amine?
6-methyl-2-[[2-methylpropyl(propan-2-yl)amino]methyl]pyrimidin-4-amine has a molecular weight of 236.36 g/mol, XLogP of 2.23, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-[[2-methylpropyl(propan-2-yl)amino]methyl]pyrimidin-4-amine is sourced from PubChem (CID 80657267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).