6-[3-(methylamino)azetidin-1-yl]-4-[(2R)-3-methylbutan-2-yl]-1H-pyrimidine-2,4-diamine

C13H26N6 — CID 151781263

IUPAC6-[3-(methylamino)azetidin-1-yl]-4-[(2R)-3-methylbutan-2-yl]-1H-pyrimidine-2,4-diamine
SMILESCNC1CN(C2=CC(N)([C@H](C)C(C)C)N=C(N)N2)C1
InChIInChI=1S/C13H26N6/c1-8(2)9(3)13(15)5-11(17-12(14)18-13)19-6-10(7-19)16-4/h5,8-10,16H,6-7,15H2,1-4H3,(H3,14,17,18)/t9-,13?/m1/s1
InChIKeyRUQSDXRATNYMJK-CGCSKFHYSA-N
MW266.39 g/mol
LogP-0.40
Rot. Bonds4

About 6-[3-(methylamino)azetidin-1-yl]-4-[(2R)-3-methylbutan-2-yl]-1H-pyrimidine-2,4-diamine

6-[3-(methylamino)azetidin-1-yl]-4-[(2R)-3-methylbutan-2-yl]-1H-pyrimidine-2,4-diamine (PubChem CID 151781263) has the molecular formula C13H26N6 and a molecular weight of 266.39 g/mol. Its IUPAC name is 6-[3-(methylamino)azetidin-1-yl]-4-[(2R)-3-methylbutan-2-yl]-1H-pyrimidine-2,4-diamine.

Molecular Properties

Compound Name6-[3-(methylamino)azetidin-1-yl]-4-[(2R)-3-methylbutan-2-yl]-1H-pyrimidine-2,4-diamine
PubChem CID151781263
Molecular FormulaC13H26N6
Molecular Weight266.39 g/mol
Exact Mass266.22
IUPAC Name6-[3-(methylamino)azetidin-1-yl]-4-[(2R)-3-methylbutan-2-yl]-1H-pyrimidine-2,4-diamine
SMILESCNC1CN(C2=CC(N)([C@H](C)C(C)C)N=C(N)N2)C1
InChIInChI=1S/C13H26N6/c1-8(2)9(3)13(15)5-11(17-12(14)18-13)19-6-10(7-19)16-4/h5,8-10,16H,6-7,15H2,1-4H3,(H3,14,17,18)/t9-,13?/m1/s1
InChIKeyRUQSDXRATNYMJK-CGCSKFHYSA-N
XLogP-0.40
TPSA91.70 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.39
LogP ≤ 5-0.40
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[3-(methylamino)azetidin-1-yl]-4-[(2R)-3-methylbutan-2-yl]-1H-pyrimidine-2,4-diamine?
The IUPAC name of 6-[3-(methylamino)azetidin-1-yl]-4-[(2R)-3-methylbutan-2-yl]-1H-pyrimidine-2,4-diamine (CID 151781263) is 6-[3-(methylamino)azetidin-1-yl]-4-[(2R)-3-methylbutan-2-yl]-1H-pyrimidine-2,4-diamine.
What is the SMILES notation for 6-[3-(methylamino)azetidin-1-yl]-4-[(2R)-3-methylbutan-2-yl]-1H-pyrimidine-2,4-diamine?
The canonical SMILES for 6-[3-(methylamino)azetidin-1-yl]-4-[(2R)-3-methylbutan-2-yl]-1H-pyrimidine-2,4-diamine is CNC1CN(C2=CC(N)([C@H](C)C(C)C)N=C(N)N2)C1.
What is the InChIKey of 6-[3-(methylamino)azetidin-1-yl]-4-[(2R)-3-methylbutan-2-yl]-1H-pyrimidine-2,4-diamine?
The InChIKey is RUQSDXRATNYMJK-CGCSKFHYSA-N. The full InChI is InChI=1S/C13H26N6/c1-8(2)9(3)13(15)5-11(17-12(14)18-13)19-6-10(7-19)16-4/h5,8-10,16H,6-7,15H2,1-4H3,(H3,14,17,18)/t9-,13?/m1/s1.
What are the key properties of 6-[3-(methylamino)azetidin-1-yl]-4-[(2R)-3-methylbutan-2-yl]-1H-pyrimidine-2,4-diamine?
6-[3-(methylamino)azetidin-1-yl]-4-[(2R)-3-methylbutan-2-yl]-1H-pyrimidine-2,4-diamine has a molecular weight of 266.39 g/mol, XLogP of -0.40, 4 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-(methylamino)azetidin-1-yl]-4-[(2R)-3-methylbutan-2-yl]-1H-pyrimidine-2,4-diamine is sourced from PubChem (CID 151781263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).