N-methyl-N-[[(2R)-oxolan-2-yl]methyl]-5-propylpyrimidin-2-amine

C13H21N3O — CID 164635856

IUPACN-methyl-N-[[(2R)-oxolan-2-yl]methyl]-5-propylpyrimidin-2-amine
SMILESCCCc1cnc(N(C)C[C@H]2CCCO2)nc1
InChIInChI=1S/C13H21N3O/c1-3-5-11-8-14-13(15-9-11)16(2)10-12-6-4-7-17-12/h8-9,12H,3-7,10H2,1-2H3/t12-/m1/s1
InChIKeyWPMAEUYFYYFCHG-GFCCVEGCSA-N
MW235.33 g/mol
LogP2.04
Rot. Bonds5

About N-methyl-N-[[(2R)-oxolan-2-yl]methyl]-5-propylpyrimidin-2-amine

N-methyl-N-[[(2R)-oxolan-2-yl]methyl]-5-propylpyrimidin-2-amine (PubChem CID 164635856) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is N-methyl-N-[[(2R)-oxolan-2-yl]methyl]-5-propylpyrimidin-2-amine.

Molecular Properties

Compound NameN-methyl-N-[[(2R)-oxolan-2-yl]methyl]-5-propylpyrimidin-2-amine
PubChem CID164635856
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC NameN-methyl-N-[[(2R)-oxolan-2-yl]methyl]-5-propylpyrimidin-2-amine
SMILESCCCc1cnc(N(C)C[C@H]2CCCO2)nc1
InChIInChI=1S/C13H21N3O/c1-3-5-11-8-14-13(15-9-11)16(2)10-12-6-4-7-17-12/h8-9,12H,3-7,10H2,1-2H3/t12-/m1/s1
InChIKeyWPMAEUYFYYFCHG-GFCCVEGCSA-N
XLogP2.04
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[[(2R)-oxolan-2-yl]methyl]-5-propylpyrimidin-2-amine?
The IUPAC name of N-methyl-N-[[(2R)-oxolan-2-yl]methyl]-5-propylpyrimidin-2-amine (CID 164635856) is N-methyl-N-[[(2R)-oxolan-2-yl]methyl]-5-propylpyrimidin-2-amine.
What is the SMILES notation for N-methyl-N-[[(2R)-oxolan-2-yl]methyl]-5-propylpyrimidin-2-amine?
The canonical SMILES for N-methyl-N-[[(2R)-oxolan-2-yl]methyl]-5-propylpyrimidin-2-amine is CCCc1cnc(N(C)C[C@H]2CCCO2)nc1.
What is the InChIKey of N-methyl-N-[[(2R)-oxolan-2-yl]methyl]-5-propylpyrimidin-2-amine?
The InChIKey is WPMAEUYFYYFCHG-GFCCVEGCSA-N. The full InChI is InChI=1S/C13H21N3O/c1-3-5-11-8-14-13(15-9-11)16(2)10-12-6-4-7-17-12/h8-9,12H,3-7,10H2,1-2H3/t12-/m1/s1.
What are the key properties of N-methyl-N-[[(2R)-oxolan-2-yl]methyl]-5-propylpyrimidin-2-amine?
N-methyl-N-[[(2R)-oxolan-2-yl]methyl]-5-propylpyrimidin-2-amine has a molecular weight of 235.33 g/mol, XLogP of 2.04, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[[(2R)-oxolan-2-yl]methyl]-5-propylpyrimidin-2-amine is sourced from PubChem (CID 164635856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).