4-N,6-N-dimethyl-4-N-pyridin-4-ylpyrimidine-4,6-diamine

C11H13N5 — CID 115265479

IUPAC4-N,6-N-dimethyl-4-N-pyridin-4-ylpyrimidine-4,6-diamine
SMILESCNc1cc(N(C)c2ccncc2)ncn1
InChIInChI=1S/C11H13N5/c1-12-10-7-11(15-8-14-10)16(2)9-3-5-13-6-4-9/h3-8H,1-2H3,(H,12,14,15)
InChIKeyKXMYUKYGWNDQKN-UHFFFAOYSA-N
MW215.26 g/mol
LogP1.68
Rot. Bonds3

About 4-N,6-N-dimethyl-4-N-pyridin-4-ylpyrimidine-4,6-diamine

4-N,6-N-dimethyl-4-N-pyridin-4-ylpyrimidine-4,6-diamine (PubChem CID 115265479) has the molecular formula C11H13N5 and a molecular weight of 215.26 g/mol. Its IUPAC name is 4-N,6-N-dimethyl-4-N-pyridin-4-ylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N,6-N-dimethyl-4-N-pyridin-4-ylpyrimidine-4,6-diamine
PubChem CID115265479
Molecular FormulaC11H13N5
Molecular Weight215.26 g/mol
Exact Mass215.12
IUPAC Name4-N,6-N-dimethyl-4-N-pyridin-4-ylpyrimidine-4,6-diamine
SMILESCNc1cc(N(C)c2ccncc2)ncn1
InChIInChI=1S/C11H13N5/c1-12-10-7-11(15-8-14-10)16(2)9-3-5-13-6-4-9/h3-8H,1-2H3,(H,12,14,15)
InChIKeyKXMYUKYGWNDQKN-UHFFFAOYSA-N
XLogP1.68
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.26
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-N,6-N-dimethyl-4-N-pyridin-4-ylpyrimidine-4,6-diamine?
The IUPAC name of 4-N,6-N-dimethyl-4-N-pyridin-4-ylpyrimidine-4,6-diamine (CID 115265479) is 4-N,6-N-dimethyl-4-N-pyridin-4-ylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N,6-N-dimethyl-4-N-pyridin-4-ylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N,6-N-dimethyl-4-N-pyridin-4-ylpyrimidine-4,6-diamine is CNc1cc(N(C)c2ccncc2)ncn1.
What is the InChIKey of 4-N,6-N-dimethyl-4-N-pyridin-4-ylpyrimidine-4,6-diamine?
The InChIKey is KXMYUKYGWNDQKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N5/c1-12-10-7-11(15-8-14-10)16(2)9-3-5-13-6-4-9/h3-8H,1-2H3,(H,12,14,15).
What are the key properties of 4-N,6-N-dimethyl-4-N-pyridin-4-ylpyrimidine-4,6-diamine?
4-N,6-N-dimethyl-4-N-pyridin-4-ylpyrimidine-4,6-diamine has a molecular weight of 215.26 g/mol, XLogP of 1.68, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N,6-N-dimethyl-4-N-pyridin-4-ylpyrimidine-4,6-diamine is sourced from PubChem (CID 115265479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).