5-pyridin-3-ylpyrimidine-2,4-diamine

C9H9N5 — CID 118493821

IUPAC5-pyridin-3-ylpyrimidine-2,4-diamine
SMILESNc1ncc(-c2cccnc2)c(N)n1
InChIInChI=1S/C9H9N5/c10-8-7(5-13-9(11)14-8)6-2-1-3-12-4-6/h1-5H,(H4,10,11,13,14)
InChIKeyUFBGYIIUSUSJTP-UHFFFAOYSA-N
MW187.21 g/mol
LogP0.70
Rot. Bonds1

About 5-pyridin-3-ylpyrimidine-2,4-diamine

5-pyridin-3-ylpyrimidine-2,4-diamine (PubChem CID 118493821) has the molecular formula C9H9N5 and a molecular weight of 187.21 g/mol. Its IUPAC name is 5-pyridin-3-ylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-pyridin-3-ylpyrimidine-2,4-diamine
PubChem CID118493821
Molecular FormulaC9H9N5
Molecular Weight187.21 g/mol
Exact Mass187.09
IUPAC Name5-pyridin-3-ylpyrimidine-2,4-diamine
SMILESNc1ncc(-c2cccnc2)c(N)n1
InChIInChI=1S/C9H9N5/c10-8-7(5-13-9(11)14-8)6-2-1-3-12-4-6/h1-5H,(H4,10,11,13,14)
InChIKeyUFBGYIIUSUSJTP-UHFFFAOYSA-N
XLogP0.70
TPSA90.71 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.21
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-pyridin-3-yl-1,5-naphthyridine-2,7-diamine
CID 174929269
5-[3-(1,3-oxazol-5-yl)phenyl]pyrimidine-2,4-diamine
CID 69064849
5-[3-(trifluoromethoxy)phenyl]pyrimidine-2,4-diamine
CID 22326853
5-[3-(2-aminoethoxy)phenyl]pyrimidine-2,4-diamine
CID 22607574
5-bromo-3-pyridin-3-ylpyridin-2-amine
CID 119084821
6-amino-5-pyridin-3-yl-1H-pyrimidin-2-one
CID 15138995
5-pyridin-3-yl-4-(1,3-thiazol-2-yl)pyridine-2,3-diamine;hydrochloride
CID 175923522
5-[4-(1,3-oxazol-5-yl)phenyl]pyrimidine-2,4-diamine
CID 69056314
5-bromo-2-pyridin-3-ylpyrimidin-4-amine
CID 66302850
2-methyl-5-(4-pyridin-3-yl-1,3-thiazol-2-yl)pyrimidin-4-amine
CID 63020540
3-(5-pyridin-3-ylnaphthalen-1-yl)pyridine
CID 169050404
5-(2-pyridin-2-yl-3-pyridinyl)pyrimidine-2,4-diamine
CID 175838941

Frequently Asked Questions

What is the IUPAC name of 5-pyridin-3-ylpyrimidine-2,4-diamine?
The IUPAC name of 5-pyridin-3-ylpyrimidine-2,4-diamine (CID 118493821) is 5-pyridin-3-ylpyrimidine-2,4-diamine.
What is the SMILES notation for 5-pyridin-3-ylpyrimidine-2,4-diamine?
The canonical SMILES for 5-pyridin-3-ylpyrimidine-2,4-diamine is Nc1ncc(-c2cccnc2)c(N)n1.
What is the InChIKey of 5-pyridin-3-ylpyrimidine-2,4-diamine?
The InChIKey is UFBGYIIUSUSJTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N5/c10-8-7(5-13-9(11)14-8)6-2-1-3-12-4-6/h1-5H,(H4,10,11,13,14).
What are the key properties of 5-pyridin-3-ylpyrimidine-2,4-diamine?
5-pyridin-3-ylpyrimidine-2,4-diamine has a molecular weight of 187.21 g/mol, XLogP of 0.70, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-pyridin-3-ylpyrimidine-2,4-diamine is sourced from PubChem (CID 118493821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).