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

C13H24N6 — CID 150540590

IUPAC4-(cyclopropylmethyl)-6-[3-methyl-3-(methylamino)azetidin-1-yl]-1H-pyrimidine-2,4-diamine
SMILESCNC1(C)CN(C2=CC(N)(CC3CC3)N=C(N)N2)C1
InChIInChI=1S/C13H24N6/c1-12(16-2)7-19(8-12)10-6-13(15,5-9-3-4-9)18-11(14)17-10/h6,9,16H,3-5,7-8,15H2,1-2H3,(H3,14,17,18)
InChIKeyIFUCOXIBAJSFQI-UHFFFAOYSA-N
MW264.38 g/mol
LogP-0.51
Rot. Bonds4

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

4-(cyclopropylmethyl)-6-[3-methyl-3-(methylamino)azetidin-1-yl]-1H-pyrimidine-2,4-diamine (PubChem CID 150540590) has the molecular formula C13H24N6 and a molecular weight of 264.38 g/mol. Its IUPAC name is 4-(cyclopropylmethyl)-6-[3-methyl-3-(methylamino)azetidin-1-yl]-1H-pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-(cyclopropylmethyl)-6-[3-methyl-3-(methylamino)azetidin-1-yl]-1H-pyrimidine-2,4-diamine
PubChem CID150540590
Molecular FormulaC13H24N6
Molecular Weight264.38 g/mol
Exact Mass264.21
IUPAC Name4-(cyclopropylmethyl)-6-[3-methyl-3-(methylamino)azetidin-1-yl]-1H-pyrimidine-2,4-diamine
SMILESCNC1(C)CN(C2=CC(N)(CC3CC3)N=C(N)N2)C1
InChIInChI=1S/C13H24N6/c1-12(16-2)7-19(8-12)10-6-13(15,5-9-3-4-9)18-11(14)17-10/h6,9,16H,3-5,7-8,15H2,1-2H3,(H3,14,17,18)
InChIKeyIFUCOXIBAJSFQI-UHFFFAOYSA-N
XLogP-0.51
TPSA91.70 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.38
LogP ≤ 5-0.51
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(cyclopropylmethyl)-6-[3-methyl-3-(methylamino)azetidin-1-yl]-1H-pyrimidine-2,4-diamine?
The IUPAC name of 4-(cyclopropylmethyl)-6-[3-methyl-3-(methylamino)azetidin-1-yl]-1H-pyrimidine-2,4-diamine (CID 150540590) is 4-(cyclopropylmethyl)-6-[3-methyl-3-(methylamino)azetidin-1-yl]-1H-pyrimidine-2,4-diamine.
What is the SMILES notation for 4-(cyclopropylmethyl)-6-[3-methyl-3-(methylamino)azetidin-1-yl]-1H-pyrimidine-2,4-diamine?
The canonical SMILES for 4-(cyclopropylmethyl)-6-[3-methyl-3-(methylamino)azetidin-1-yl]-1H-pyrimidine-2,4-diamine is CNC1(C)CN(C2=CC(N)(CC3CC3)N=C(N)N2)C1.
What is the InChIKey of 4-(cyclopropylmethyl)-6-[3-methyl-3-(methylamino)azetidin-1-yl]-1H-pyrimidine-2,4-diamine?
The InChIKey is IFUCOXIBAJSFQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N6/c1-12(16-2)7-19(8-12)10-6-13(15,5-9-3-4-9)18-11(14)17-10/h6,9,16H,3-5,7-8,15H2,1-2H3,(H3,14,17,18).
What are the key properties of 4-(cyclopropylmethyl)-6-[3-methyl-3-(methylamino)azetidin-1-yl]-1H-pyrimidine-2,4-diamine?
4-(cyclopropylmethyl)-6-[3-methyl-3-(methylamino)azetidin-1-yl]-1H-pyrimidine-2,4-diamine has a molecular weight of 264.38 g/mol, XLogP of -0.51, 4 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclopropylmethyl)-6-[3-methyl-3-(methylamino)azetidin-1-yl]-1H-pyrimidine-2,4-diamine is sourced from PubChem (CID 150540590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).