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

C11H20N6 — CID 143492578

IUPAC4-cyclopropyl-6-[3-(methylamino)azetidin-1-yl]-1H-pyrimidine-2,4-diamine
SMILESCNC1CN(C2=CC(N)(C3CC3)N=C(N)N2)C1
InChIInChI=1S/C11H20N6/c1-14-8-5-17(6-8)9-4-11(13,7-2-3-7)16-10(12)15-9/h4,7-8,14H,2-3,5-6,13H2,1H3,(H3,12,15,16)
InChIKeyKCRPMDZRCQOXLO-UHFFFAOYSA-N
MW236.32 g/mol
LogP-1.29
Rot. Bonds3

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

4-cyclopropyl-6-[3-(methylamino)azetidin-1-yl]-1H-pyrimidine-2,4-diamine (PubChem CID 143492578) has the molecular formula C11H20N6 and a molecular weight of 236.32 g/mol. Its IUPAC name is 4-cyclopropyl-6-[3-(methylamino)azetidin-1-yl]-1H-pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-cyclopropyl-6-[3-(methylamino)azetidin-1-yl]-1H-pyrimidine-2,4-diamine
PubChem CID143492578
Molecular FormulaC11H20N6
Molecular Weight236.32 g/mol
Exact Mass236.17
IUPAC Name4-cyclopropyl-6-[3-(methylamino)azetidin-1-yl]-1H-pyrimidine-2,4-diamine
SMILESCNC1CN(C2=CC(N)(C3CC3)N=C(N)N2)C1
InChIInChI=1S/C11H20N6/c1-14-8-5-17(6-8)9-4-11(13,7-2-3-7)16-10(12)15-9/h4,7-8,14H,2-3,5-6,13H2,1H3,(H3,12,15,16)
InChIKeyKCRPMDZRCQOXLO-UHFFFAOYSA-N
XLogP-1.29
TPSA91.70 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 5-1.29
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-6-[3-(methylamino)azetidin-1-yl]-1H-pyrimidine-2,4-diamine?
The IUPAC name of 4-cyclopropyl-6-[3-(methylamino)azetidin-1-yl]-1H-pyrimidine-2,4-diamine (CID 143492578) is 4-cyclopropyl-6-[3-(methylamino)azetidin-1-yl]-1H-pyrimidine-2,4-diamine.
What is the SMILES notation for 4-cyclopropyl-6-[3-(methylamino)azetidin-1-yl]-1H-pyrimidine-2,4-diamine?
The canonical SMILES for 4-cyclopropyl-6-[3-(methylamino)azetidin-1-yl]-1H-pyrimidine-2,4-diamine is CNC1CN(C2=CC(N)(C3CC3)N=C(N)N2)C1.
What is the InChIKey of 4-cyclopropyl-6-[3-(methylamino)azetidin-1-yl]-1H-pyrimidine-2,4-diamine?
The InChIKey is KCRPMDZRCQOXLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N6/c1-14-8-5-17(6-8)9-4-11(13,7-2-3-7)16-10(12)15-9/h4,7-8,14H,2-3,5-6,13H2,1H3,(H3,12,15,16).
What are the key properties of 4-cyclopropyl-6-[3-(methylamino)azetidin-1-yl]-1H-pyrimidine-2,4-diamine?
4-cyclopropyl-6-[3-(methylamino)azetidin-1-yl]-1H-pyrimidine-2,4-diamine has a molecular weight of 236.32 g/mol, XLogP of -1.29, 3 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-6-[3-(methylamino)azetidin-1-yl]-1H-pyrimidine-2,4-diamine is sourced from PubChem (CID 143492578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).