4-N-(azetidin-3-yl)-6-N-pyridin-4-ylpyrimidine-4,6-diamine

C12H14N6 — CID 115264106

IUPAC4-N-(azetidin-3-yl)-6-N-pyridin-4-ylpyrimidine-4,6-diamine
SMILESc1cc(Nc2cc(NC3CNC3)ncn2)ccn1
InChIInChI=1S/C12H14N6/c1-3-13-4-2-9(1)17-11-5-12(16-8-15-11)18-10-6-14-7-10/h1-5,8,10,14H,6-7H2,(H2,13,15,16,17,18)
InChIKeyAPTTXMOTANODME-UHFFFAOYSA-N
MW242.29 g/mol
LogP1.00
Rot. Bonds4

About 4-N-(azetidin-3-yl)-6-N-pyridin-4-ylpyrimidine-4,6-diamine

4-N-(azetidin-3-yl)-6-N-pyridin-4-ylpyrimidine-4,6-diamine (PubChem CID 115264106) has the molecular formula C12H14N6 and a molecular weight of 242.29 g/mol. Its IUPAC name is 4-N-(azetidin-3-yl)-6-N-pyridin-4-ylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-(azetidin-3-yl)-6-N-pyridin-4-ylpyrimidine-4,6-diamine
PubChem CID115264106
Molecular FormulaC12H14N6
Molecular Weight242.29 g/mol
Exact Mass242.13
IUPAC Name4-N-(azetidin-3-yl)-6-N-pyridin-4-ylpyrimidine-4,6-diamine
SMILESc1cc(Nc2cc(NC3CNC3)ncn2)ccn1
InChIInChI=1S/C12H14N6/c1-3-13-4-2-9(1)17-11-5-12(16-8-15-11)18-10-6-14-7-10/h1-5,8,10,14H,6-7H2,(H2,13,15,16,17,18)
InChIKeyAPTTXMOTANODME-UHFFFAOYSA-N
XLogP1.00
TPSA74.76 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.29
LogP ≤ 51.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

4-N-(azetidin-3-yl)-2-methyl-6-N-pyridin-4-ylpyrimidine-4,6-diamine
CID 115266465
N-(azetidin-3-yl)pyridin-4-amine;ethane
CID 144986500
4-N-cyclopropyl-6-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine
CID 67695034
6-N-ethyl-4-N-pyridin-4-ylpyrimidine-4,6-diamine
CID 115265643
4-N-(azetidin-3-yl)-6-N-(thiophen-2-ylmethyl)pyrimidine-4,6-diamine
CID 115264138
N-(azetidin-3-yl)-6-methoxypyrimidin-4-amine
CID 66319421
N-(azetidin-3-yl)-6-thiophen-2-ylpyrimidin-4-amine
CID 126848860
[6-(pyridin-4-ylamino)pyrimidin-4-yl]methanediol
CID 129090569
6-N-cyclobutyl-4-N-pyrrolidin-3-ylpyrimidine-4,6-diamine
CID 115264180
2-[[6-(pyridin-4-ylamino)pyrimidin-4-yl]amino]acetonitrile
CID 115264796
6-N-(3-bromophenyl)-4-N-piperidin-4-ylpyrimidine-4,6-diamine
CID 70209213
4-N-(azetidin-3-yl)-6-N-(2-cyclopentylethyl)pyrimidine-4,6-diamine
CID 115264162

Frequently Asked Questions

What is the IUPAC name of 4-N-(azetidin-3-yl)-6-N-pyridin-4-ylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-(azetidin-3-yl)-6-N-pyridin-4-ylpyrimidine-4,6-diamine (CID 115264106) is 4-N-(azetidin-3-yl)-6-N-pyridin-4-ylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-(azetidin-3-yl)-6-N-pyridin-4-ylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-(azetidin-3-yl)-6-N-pyridin-4-ylpyrimidine-4,6-diamine is c1cc(Nc2cc(NC3CNC3)ncn2)ccn1.
What is the InChIKey of 4-N-(azetidin-3-yl)-6-N-pyridin-4-ylpyrimidine-4,6-diamine?
The InChIKey is APTTXMOTANODME-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N6/c1-3-13-4-2-9(1)17-11-5-12(16-8-15-11)18-10-6-14-7-10/h1-5,8,10,14H,6-7H2,(H2,13,15,16,17,18).
What are the key properties of 4-N-(azetidin-3-yl)-6-N-pyridin-4-ylpyrimidine-4,6-diamine?
4-N-(azetidin-3-yl)-6-N-pyridin-4-ylpyrimidine-4,6-diamine has a molecular weight of 242.29 g/mol, XLogP of 1.00, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(azetidin-3-yl)-6-N-pyridin-4-ylpyrimidine-4,6-diamine is sourced from PubChem (CID 115264106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).