N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]pyrimidin-2-amine

C10H15N3O2 — CID 131153457

IUPACN-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]pyrimidin-2-amine
SMILESCC1(CCNc2ncccn2)OCCO1
InChIInChI=1S/C10H15N3O2/c1-10(14-7-8-15-10)3-6-13-9-11-4-2-5-12-9/h2,4-5H,3,6-8H2,1H3,(H,11,12,13)
InChIKeyDKXFNIIBSACZAX-UHFFFAOYSA-N
MW209.25 g/mol
LogP1.04
Rot. Bonds4

About N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]pyrimidin-2-amine

N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]pyrimidin-2-amine (PubChem CID 131153457) has the molecular formula C10H15N3O2 and a molecular weight of 209.25 g/mol. Its IUPAC name is N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]pyrimidin-2-amine.

Molecular Properties

Compound NameN-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]pyrimidin-2-amine
PubChem CID131153457
Molecular FormulaC10H15N3O2
Molecular Weight209.25 g/mol
Exact Mass209.12
IUPAC NameN-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]pyrimidin-2-amine
SMILESCC1(CCNc2ncccn2)OCCO1
InChIInChI=1S/C10H15N3O2/c1-10(14-7-8-15-10)3-6-13-9-11-4-2-5-12-9/h2,4-5H,3,6-8H2,1H3,(H,11,12,13)
InChIKeyDKXFNIIBSACZAX-UHFFFAOYSA-N
XLogP1.04
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]pyrimidin-2-amine?
The IUPAC name of N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]pyrimidin-2-amine (CID 131153457) is N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]pyrimidin-2-amine.
What is the SMILES notation for N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]pyrimidin-2-amine?
The canonical SMILES for N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]pyrimidin-2-amine is CC1(CCNc2ncccn2)OCCO1.
What is the InChIKey of N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]pyrimidin-2-amine?
The InChIKey is DKXFNIIBSACZAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O2/c1-10(14-7-8-15-10)3-6-13-9-11-4-2-5-12-9/h2,4-5H,3,6-8H2,1H3,(H,11,12,13).
What are the key properties of N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]pyrimidin-2-amine?
N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]pyrimidin-2-amine has a molecular weight of 209.25 g/mol, XLogP of 1.04, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]pyrimidin-2-amine is sourced from PubChem (CID 131153457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).