N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-6-propoxypyrimidin-4-amine

C13H21N3O3 — CID 107389682

IUPACN-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-6-propoxypyrimidin-4-amine
SMILESCCCOc1cc(NCC2COC(C)(C)O2)ncn1
InChIInChI=1S/C13H21N3O3/c1-4-5-17-12-6-11(15-9-16-12)14-7-10-8-18-13(2,3)19-10/h6,9-10H,4-5,7-8H2,1-3H3,(H,14,15,16)
InChIKeyMJWCISHITFUJLE-UHFFFAOYSA-N
MW267.33 g/mol
LogP1.83
Rot. Bonds6

About N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-6-propoxypyrimidin-4-amine

N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-6-propoxypyrimidin-4-amine (PubChem CID 107389682) has the molecular formula C13H21N3O3 and a molecular weight of 267.33 g/mol. Its IUPAC name is N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-6-propoxypyrimidin-4-amine.

Molecular Properties

Compound NameN-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-6-propoxypyrimidin-4-amine
PubChem CID107389682
Molecular FormulaC13H21N3O3
Molecular Weight267.33 g/mol
Exact Mass267.16
IUPAC NameN-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-6-propoxypyrimidin-4-amine
SMILESCCCOc1cc(NCC2COC(C)(C)O2)ncn1
InChIInChI=1S/C13H21N3O3/c1-4-5-17-12-6-11(15-9-16-12)14-7-10-8-18-13(2,3)19-10/h6,9-10H,4-5,7-8H2,1-3H3,(H,14,15,16)
InChIKeyMJWCISHITFUJLE-UHFFFAOYSA-N
XLogP1.83
TPSA65.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-6-propoxypyrimidin-4-amine?
The IUPAC name of N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-6-propoxypyrimidin-4-amine (CID 107389682) is N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-6-propoxypyrimidin-4-amine.
What is the SMILES notation for N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-6-propoxypyrimidin-4-amine?
The canonical SMILES for N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-6-propoxypyrimidin-4-amine is CCCOc1cc(NCC2COC(C)(C)O2)ncn1.
What is the InChIKey of N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-6-propoxypyrimidin-4-amine?
The InChIKey is MJWCISHITFUJLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O3/c1-4-5-17-12-6-11(15-9-16-12)14-7-10-8-18-13(2,3)19-10/h6,9-10H,4-5,7-8H2,1-3H3,(H,14,15,16).
What are the key properties of N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-6-propoxypyrimidin-4-amine?
N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-6-propoxypyrimidin-4-amine has a molecular weight of 267.33 g/mol, XLogP of 1.83, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-6-propoxypyrimidin-4-amine is sourced from PubChem (CID 107389682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).