N-methyl-6-[(3S)-oxolan-3-yl]-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]pyrimidin-4-amine

C18H19N5O2 — CID 126451956

IUPACN-methyl-6-[(3S)-oxolan-3-yl]-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]pyrimidin-4-amine
SMILESCN(Cc1nnc(-c2ccccc2)o1)c1cc([C@@H]2CCOC2)ncn1
InChIInChI=1S/C18H19N5O2/c1-23(16-9-15(19-12-20-16)14-7-8-24-11-14)10-17-21-22-18(25-17)13-5-3-2-4-6-13/h2-6,9,12,14H,7-8,10-11H2,1H3/t14-/m1/s1
InChIKeyNQFSMEVIXRULEF-CQSZACIVSA-N
MW337.38 g/mol
LogP2.67
Rot. Bonds5

About N-methyl-6-[(3S)-oxolan-3-yl]-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]pyrimidin-4-amine

N-methyl-6-[(3S)-oxolan-3-yl]-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]pyrimidin-4-amine (PubChem CID 126451956) has the molecular formula C18H19N5O2 and a molecular weight of 337.38 g/mol. Its IUPAC name is N-methyl-6-[(3S)-oxolan-3-yl]-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]pyrimidin-4-amine.

Molecular Properties

Compound NameN-methyl-6-[(3S)-oxolan-3-yl]-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]pyrimidin-4-amine
PubChem CID126451956
Molecular FormulaC18H19N5O2
Molecular Weight337.38 g/mol
Exact Mass337.15
IUPAC NameN-methyl-6-[(3S)-oxolan-3-yl]-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]pyrimidin-4-amine
SMILESCN(Cc1nnc(-c2ccccc2)o1)c1cc([C@@H]2CCOC2)ncn1
InChIInChI=1S/C18H19N5O2/c1-23(16-9-15(19-12-20-16)14-7-8-24-11-14)10-17-21-22-18(25-17)13-5-3-2-4-6-13/h2-6,9,12,14H,7-8,10-11H2,1H3/t14-/m1/s1
InChIKeyNQFSMEVIXRULEF-CQSZACIVSA-N
XLogP2.67
TPSA77.17 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-methyl-6-[(3S)-oxolan-3-yl]-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]pyrimidin-4-amine?
The IUPAC name of N-methyl-6-[(3S)-oxolan-3-yl]-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]pyrimidin-4-amine (CID 126451956) is N-methyl-6-[(3S)-oxolan-3-yl]-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]pyrimidin-4-amine.
What is the SMILES notation for N-methyl-6-[(3S)-oxolan-3-yl]-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]pyrimidin-4-amine?
The canonical SMILES for N-methyl-6-[(3S)-oxolan-3-yl]-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]pyrimidin-4-amine is CN(Cc1nnc(-c2ccccc2)o1)c1cc([C@@H]2CCOC2)ncn1.
What is the InChIKey of N-methyl-6-[(3S)-oxolan-3-yl]-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]pyrimidin-4-amine?
The InChIKey is NQFSMEVIXRULEF-CQSZACIVSA-N. The full InChI is InChI=1S/C18H19N5O2/c1-23(16-9-15(19-12-20-16)14-7-8-24-11-14)10-17-21-22-18(25-17)13-5-3-2-4-6-13/h2-6,9,12,14H,7-8,10-11H2,1H3/t14-/m1/s1.
What are the key properties of N-methyl-6-[(3S)-oxolan-3-yl]-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]pyrimidin-4-amine?
N-methyl-6-[(3S)-oxolan-3-yl]-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]pyrimidin-4-amine has a molecular weight of 337.38 g/mol, XLogP of 2.67, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-6-[(3S)-oxolan-3-yl]-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]pyrimidin-4-amine is sourced from PubChem (CID 126451956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).