2-cyclopropyl-N-[(4-methoxyoxan-4-yl)methyl]pyrimidin-4-amine

C14H21N3O2 — CID 133400059

IUPAC2-cyclopropyl-N-[(4-methoxyoxan-4-yl)methyl]pyrimidin-4-amine
SMILESCOC1(CNc2ccnc(C3CC3)n2)CCOCC1
InChIInChI=1S/C14H21N3O2/c1-18-14(5-8-19-9-6-14)10-16-12-4-7-15-13(17-12)11-2-3-11/h4,7,11H,2-3,5-6,8-10H2,1H3,(H,15,16,17)
InChIKeyGNAWOVWRWSCIEX-UHFFFAOYSA-N
MW263.34 g/mol
LogP1.96
Rot. Bonds5

About 2-cyclopropyl-N-[(4-methoxyoxan-4-yl)methyl]pyrimidin-4-amine

2-cyclopropyl-N-[(4-methoxyoxan-4-yl)methyl]pyrimidin-4-amine (PubChem CID 133400059) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is 2-cyclopropyl-N-[(4-methoxyoxan-4-yl)methyl]pyrimidin-4-amine.

Molecular Properties

Compound Name2-cyclopropyl-N-[(4-methoxyoxan-4-yl)methyl]pyrimidin-4-amine
PubChem CID133400059
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC Name2-cyclopropyl-N-[(4-methoxyoxan-4-yl)methyl]pyrimidin-4-amine
SMILESCOC1(CNc2ccnc(C3CC3)n2)CCOCC1
InChIInChI=1S/C14H21N3O2/c1-18-14(5-8-19-9-6-14)10-16-12-4-7-15-13(17-12)11-2-3-11/h4,7,11H,2-3,5-6,8-10H2,1H3,(H,15,16,17)
InChIKeyGNAWOVWRWSCIEX-UHFFFAOYSA-N
XLogP1.96
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-N-[(4-methoxyoxan-4-yl)methyl]pyrimidin-4-amine?
The IUPAC name of 2-cyclopropyl-N-[(4-methoxyoxan-4-yl)methyl]pyrimidin-4-amine (CID 133400059) is 2-cyclopropyl-N-[(4-methoxyoxan-4-yl)methyl]pyrimidin-4-amine.
What is the SMILES notation for 2-cyclopropyl-N-[(4-methoxyoxan-4-yl)methyl]pyrimidin-4-amine?
The canonical SMILES for 2-cyclopropyl-N-[(4-methoxyoxan-4-yl)methyl]pyrimidin-4-amine is COC1(CNc2ccnc(C3CC3)n2)CCOCC1.
What is the InChIKey of 2-cyclopropyl-N-[(4-methoxyoxan-4-yl)methyl]pyrimidin-4-amine?
The InChIKey is GNAWOVWRWSCIEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c1-18-14(5-8-19-9-6-14)10-16-12-4-7-15-13(17-12)11-2-3-11/h4,7,11H,2-3,5-6,8-10H2,1H3,(H,15,16,17).
What are the key properties of 2-cyclopropyl-N-[(4-methoxyoxan-4-yl)methyl]pyrimidin-4-amine?
2-cyclopropyl-N-[(4-methoxyoxan-4-yl)methyl]pyrimidin-4-amine has a molecular weight of 263.34 g/mol, XLogP of 1.96, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-N-[(4-methoxyoxan-4-yl)methyl]pyrimidin-4-amine is sourced from PubChem (CID 133400059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).