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

C14H28N6 — CID 143492540

IUPAC4-(3,3-dimethylbutyl)-6-[3-(methylamino)azetidin-1-yl]-1H-pyrimidine-2,4-diamine
SMILESCNC1CN(C2=CC(N)(CCC(C)(C)C)N=C(N)N2)C1
InChIInChI=1S/C14H28N6/c1-13(2,3)5-6-14(16)7-11(18-12(15)19-14)20-8-10(9-20)17-4/h7,10,17H,5-6,8-9,16H2,1-4H3,(H3,15,18,19)
InChIKeyXORPKRCJFUGGFS-UHFFFAOYSA-N
MW280.42 g/mol
LogP0.13
Rot. Bonds4

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

4-(3,3-dimethylbutyl)-6-[3-(methylamino)azetidin-1-yl]-1H-pyrimidine-2,4-diamine (PubChem CID 143492540) has the molecular formula C14H28N6 and a molecular weight of 280.42 g/mol. Its IUPAC name is 4-(3,3-dimethylbutyl)-6-[3-(methylamino)azetidin-1-yl]-1H-pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-(3,3-dimethylbutyl)-6-[3-(methylamino)azetidin-1-yl]-1H-pyrimidine-2,4-diamine
PubChem CID143492540
Molecular FormulaC14H28N6
Molecular Weight280.42 g/mol
Exact Mass280.24
IUPAC Name4-(3,3-dimethylbutyl)-6-[3-(methylamino)azetidin-1-yl]-1H-pyrimidine-2,4-diamine
SMILESCNC1CN(C2=CC(N)(CCC(C)(C)C)N=C(N)N2)C1
InChIInChI=1S/C14H28N6/c1-13(2,3)5-6-14(16)7-11(18-12(15)19-14)20-8-10(9-20)17-4/h7,10,17H,5-6,8-9,16H2,1-4H3,(H3,15,18,19)
InChIKeyXORPKRCJFUGGFS-UHFFFAOYSA-N
XLogP0.13
TPSA91.70 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.42
LogP ≤ 50.13
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(3,3-dimethylbutyl)-6-[3-(methylamino)azetidin-1-yl]-1H-pyrimidine-2,4-diamine?
The IUPAC name of 4-(3,3-dimethylbutyl)-6-[3-(methylamino)azetidin-1-yl]-1H-pyrimidine-2,4-diamine (CID 143492540) is 4-(3,3-dimethylbutyl)-6-[3-(methylamino)azetidin-1-yl]-1H-pyrimidine-2,4-diamine.
What is the SMILES notation for 4-(3,3-dimethylbutyl)-6-[3-(methylamino)azetidin-1-yl]-1H-pyrimidine-2,4-diamine?
The canonical SMILES for 4-(3,3-dimethylbutyl)-6-[3-(methylamino)azetidin-1-yl]-1H-pyrimidine-2,4-diamine is CNC1CN(C2=CC(N)(CCC(C)(C)C)N=C(N)N2)C1.
What is the InChIKey of 4-(3,3-dimethylbutyl)-6-[3-(methylamino)azetidin-1-yl]-1H-pyrimidine-2,4-diamine?
The InChIKey is XORPKRCJFUGGFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N6/c1-13(2,3)5-6-14(16)7-11(18-12(15)19-14)20-8-10(9-20)17-4/h7,10,17H,5-6,8-9,16H2,1-4H3,(H3,15,18,19).
What are the key properties of 4-(3,3-dimethylbutyl)-6-[3-(methylamino)azetidin-1-yl]-1H-pyrimidine-2,4-diamine?
4-(3,3-dimethylbutyl)-6-[3-(methylamino)azetidin-1-yl]-1H-pyrimidine-2,4-diamine has a molecular weight of 280.42 g/mol, XLogP of 0.13, 4 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,3-dimethylbutyl)-6-[3-(methylamino)azetidin-1-yl]-1H-pyrimidine-2,4-diamine is sourced from PubChem (CID 143492540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).