5-bromo-N-cyclopropyl-N-(oxolan-3-ylmethyl)pyrimidin-2-amine

C12H16BrN3O — CID 75508619

IUPAC5-bromo-N-cyclopropyl-N-(oxolan-3-ylmethyl)pyrimidin-2-amine
SMILESBrc1cnc(N(CC2CCOC2)C2CC2)nc1
InChIInChI=1S/C12H16BrN3O/c13-10-5-14-12(15-6-10)16(11-1-2-11)7-9-3-4-17-8-9/h5-6,9,11H,1-4,7-8H2
InChIKeyITCGHCKCXBYHPK-UHFFFAOYSA-N
MW298.18 g/mol
LogP2.24
Rot. Bonds4

About 5-bromo-N-cyclopropyl-N-(oxolan-3-ylmethyl)pyrimidin-2-amine

5-bromo-N-cyclopropyl-N-(oxolan-3-ylmethyl)pyrimidin-2-amine (PubChem CID 75508619) has the molecular formula C12H16BrN3O and a molecular weight of 298.18 g/mol. Its IUPAC name is 5-bromo-N-cyclopropyl-N-(oxolan-3-ylmethyl)pyrimidin-2-amine.

Molecular Properties

Compound Name5-bromo-N-cyclopropyl-N-(oxolan-3-ylmethyl)pyrimidin-2-amine
PubChem CID75508619
Molecular FormulaC12H16BrN3O
Molecular Weight298.18 g/mol
Exact Mass297.05
IUPAC Name5-bromo-N-cyclopropyl-N-(oxolan-3-ylmethyl)pyrimidin-2-amine
SMILESBrc1cnc(N(CC2CCOC2)C2CC2)nc1
InChIInChI=1S/C12H16BrN3O/c13-10-5-14-12(15-6-10)16(11-1-2-11)7-9-3-4-17-8-9/h5-6,9,11H,1-4,7-8H2
InChIKeyITCGHCKCXBYHPK-UHFFFAOYSA-N
XLogP2.24
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.18
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-cyclopropyl-N-(oxolan-3-ylmethyl)pyrimidin-2-amine?
The IUPAC name of 5-bromo-N-cyclopropyl-N-(oxolan-3-ylmethyl)pyrimidin-2-amine (CID 75508619) is 5-bromo-N-cyclopropyl-N-(oxolan-3-ylmethyl)pyrimidin-2-amine.
What is the SMILES notation for 5-bromo-N-cyclopropyl-N-(oxolan-3-ylmethyl)pyrimidin-2-amine?
The canonical SMILES for 5-bromo-N-cyclopropyl-N-(oxolan-3-ylmethyl)pyrimidin-2-amine is Brc1cnc(N(CC2CCOC2)C2CC2)nc1.
What is the InChIKey of 5-bromo-N-cyclopropyl-N-(oxolan-3-ylmethyl)pyrimidin-2-amine?
The InChIKey is ITCGHCKCXBYHPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrN3O/c13-10-5-14-12(15-6-10)16(11-1-2-11)7-9-3-4-17-8-9/h5-6,9,11H,1-4,7-8H2.
What are the key properties of 5-bromo-N-cyclopropyl-N-(oxolan-3-ylmethyl)pyrimidin-2-amine?
5-bromo-N-cyclopropyl-N-(oxolan-3-ylmethyl)pyrimidin-2-amine has a molecular weight of 298.18 g/mol, XLogP of 2.24, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-cyclopropyl-N-(oxolan-3-ylmethyl)pyrimidin-2-amine is sourced from PubChem (CID 75508619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).