6-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]pyrimidine-2,4-diamine

C10H16N4O3 — CID 22639936

IUPAC6-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]pyrimidine-2,4-diamine
SMILESCC1(C)OCC(COc2cc(N)nc(N)n2)O1
InChIInChI=1S/C10H16N4O3/c1-10(2)16-5-6(17-10)4-15-8-3-7(11)13-9(12)14-8/h3,6H,4-5H2,1-2H3,(H4,11,12,13,14)
InChIKeyLHMPNFPSVXMNKO-UHFFFAOYSA-N
MW240.26 g/mol
LogP0.17
Rot. Bonds3

About 6-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]pyrimidine-2,4-diamine

6-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]pyrimidine-2,4-diamine (PubChem CID 22639936) has the molecular formula C10H16N4O3 and a molecular weight of 240.26 g/mol. Its IUPAC name is 6-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name6-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]pyrimidine-2,4-diamine
PubChem CID22639936
Molecular FormulaC10H16N4O3
Molecular Weight240.26 g/mol
Exact Mass240.12
IUPAC Name6-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]pyrimidine-2,4-diamine
SMILESCC1(C)OCC(COc2cc(N)nc(N)n2)O1
InChIInChI=1S/C10H16N4O3/c1-10(2)16-5-6(17-10)4-15-8-3-7(11)13-9(12)14-8/h3,6H,4-5H2,1-2H3,(H4,11,12,13,14)
InChIKeyLHMPNFPSVXMNKO-UHFFFAOYSA-N
XLogP0.17
TPSA105.51 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 50.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]pyrimidine-2,4-diamine?
The IUPAC name of 6-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]pyrimidine-2,4-diamine (CID 22639936) is 6-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]pyrimidine-2,4-diamine.
What is the SMILES notation for 6-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]pyrimidine-2,4-diamine?
The canonical SMILES for 6-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]pyrimidine-2,4-diamine is CC1(C)OCC(COc2cc(N)nc(N)n2)O1.
What is the InChIKey of 6-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]pyrimidine-2,4-diamine?
The InChIKey is LHMPNFPSVXMNKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O3/c1-10(2)16-5-6(17-10)4-15-8-3-7(11)13-9(12)14-8/h3,6H,4-5H2,1-2H3,(H4,11,12,13,14).
What are the key properties of 6-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]pyrimidine-2,4-diamine?
6-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]pyrimidine-2,4-diamine has a molecular weight of 240.26 g/mol, XLogP of 0.17, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]pyrimidine-2,4-diamine is sourced from PubChem (CID 22639936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).