4-N-(oxolan-3-ylmethyl)-2-phenylpyrimidine-4,6-diamine

C15H18N4O — CID 115915559

IUPAC4-N-(oxolan-3-ylmethyl)-2-phenylpyrimidine-4,6-diamine
SMILESNc1cc(NCC2CCOC2)nc(-c2ccccc2)n1
InChIInChI=1S/C15H18N4O/c16-13-8-14(17-9-11-6-7-20-10-11)19-15(18-13)12-4-2-1-3-5-12/h1-5,8,11H,6-7,9-10H2,(H3,16,17,18,19)
InChIKeyUHMDORMXYSBDQD-UHFFFAOYSA-N
MW270.34 g/mol
LogP2.17
Rot. Bonds4

About 4-N-(oxolan-3-ylmethyl)-2-phenylpyrimidine-4,6-diamine

4-N-(oxolan-3-ylmethyl)-2-phenylpyrimidine-4,6-diamine (PubChem CID 115915559) has the molecular formula C15H18N4O and a molecular weight of 270.34 g/mol. Its IUPAC name is 4-N-(oxolan-3-ylmethyl)-2-phenylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-(oxolan-3-ylmethyl)-2-phenylpyrimidine-4,6-diamine
PubChem CID115915559
Molecular FormulaC15H18N4O
Molecular Weight270.34 g/mol
Exact Mass270.15
IUPAC Name4-N-(oxolan-3-ylmethyl)-2-phenylpyrimidine-4,6-diamine
SMILESNc1cc(NCC2CCOC2)nc(-c2ccccc2)n1
InChIInChI=1S/C15H18N4O/c16-13-8-14(17-9-11-6-7-20-10-11)19-15(18-13)12-4-2-1-3-5-12/h1-5,8,11H,6-7,9-10H2,(H3,16,17,18,19)
InChIKeyUHMDORMXYSBDQD-UHFFFAOYSA-N
XLogP2.17
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.34
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-N-(oxolan-3-ylmethyl)-2-phenylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-(oxolan-3-ylmethyl)-2-phenylpyrimidine-4,6-diamine (CID 115915559) is 4-N-(oxolan-3-ylmethyl)-2-phenylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-(oxolan-3-ylmethyl)-2-phenylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-(oxolan-3-ylmethyl)-2-phenylpyrimidine-4,6-diamine is Nc1cc(NCC2CCOC2)nc(-c2ccccc2)n1.
What is the InChIKey of 4-N-(oxolan-3-ylmethyl)-2-phenylpyrimidine-4,6-diamine?
The InChIKey is UHMDORMXYSBDQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O/c16-13-8-14(17-9-11-6-7-20-10-11)19-15(18-13)12-4-2-1-3-5-12/h1-5,8,11H,6-7,9-10H2,(H3,16,17,18,19).
What are the key properties of 4-N-(oxolan-3-ylmethyl)-2-phenylpyrimidine-4,6-diamine?
4-N-(oxolan-3-ylmethyl)-2-phenylpyrimidine-4,6-diamine has a molecular weight of 270.34 g/mol, XLogP of 2.17, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(oxolan-3-ylmethyl)-2-phenylpyrimidine-4,6-diamine is sourced from PubChem (CID 115915559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).