2,6-dimethyl-N-(pyrrolidin-3-ylmethyl)pyrimidin-4-amine

C11H18N4 — CID 80563958

IUPAC2,6-dimethyl-N-(pyrrolidin-3-ylmethyl)pyrimidin-4-amine
SMILESCc1cc(NCC2CCNC2)nc(C)n1
InChIInChI=1S/C11H18N4/c1-8-5-11(15-9(2)14-8)13-7-10-3-4-12-6-10/h5,10,12H,3-4,6-7H2,1-2H3,(H,13,14,15)
InChIKeySORAGUNTHPJBKK-UHFFFAOYSA-N
MW206.29 g/mol
LogP1.11
Rot. Bonds3

About 2,6-dimethyl-N-(pyrrolidin-3-ylmethyl)pyrimidin-4-amine

2,6-dimethyl-N-(pyrrolidin-3-ylmethyl)pyrimidin-4-amine (PubChem CID 80563958) has the molecular formula C11H18N4 and a molecular weight of 206.29 g/mol. Its IUPAC name is 2,6-dimethyl-N-(pyrrolidin-3-ylmethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name2,6-dimethyl-N-(pyrrolidin-3-ylmethyl)pyrimidin-4-amine
PubChem CID80563958
Molecular FormulaC11H18N4
Molecular Weight206.29 g/mol
Exact Mass206.15
IUPAC Name2,6-dimethyl-N-(pyrrolidin-3-ylmethyl)pyrimidin-4-amine
SMILESCc1cc(NCC2CCNC2)nc(C)n1
InChIInChI=1S/C11H18N4/c1-8-5-11(15-9(2)14-8)13-7-10-3-4-12-6-10/h5,10,12H,3-4,6-7H2,1-2H3,(H,13,14,15)
InChIKeySORAGUNTHPJBKK-UHFFFAOYSA-N
XLogP1.11
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-N-(pyrrolidin-3-ylmethyl)pyrimidin-4-amine?
The IUPAC name of 2,6-dimethyl-N-(pyrrolidin-3-ylmethyl)pyrimidin-4-amine (CID 80563958) is 2,6-dimethyl-N-(pyrrolidin-3-ylmethyl)pyrimidin-4-amine.
What is the SMILES notation for 2,6-dimethyl-N-(pyrrolidin-3-ylmethyl)pyrimidin-4-amine?
The canonical SMILES for 2,6-dimethyl-N-(pyrrolidin-3-ylmethyl)pyrimidin-4-amine is Cc1cc(NCC2CCNC2)nc(C)n1.
What is the InChIKey of 2,6-dimethyl-N-(pyrrolidin-3-ylmethyl)pyrimidin-4-amine?
The InChIKey is SORAGUNTHPJBKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4/c1-8-5-11(15-9(2)14-8)13-7-10-3-4-12-6-10/h5,10,12H,3-4,6-7H2,1-2H3,(H,13,14,15).
What are the key properties of 2,6-dimethyl-N-(pyrrolidin-3-ylmethyl)pyrimidin-4-amine?
2,6-dimethyl-N-(pyrrolidin-3-ylmethyl)pyrimidin-4-amine has a molecular weight of 206.29 g/mol, XLogP of 1.11, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-N-(pyrrolidin-3-ylmethyl)pyrimidin-4-amine is sourced from PubChem (CID 80563958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).