N-ethyl-4-methyl-6-[4-[(5-methyl-1,2-oxazol-4-yl)methyl]piperazin-1-yl]pyrimidin-2-amine

C16H24N6O — CID 154583151

IUPACN-ethyl-4-methyl-6-[4-[(5-methyl-1,2-oxazol-4-yl)methyl]piperazin-1-yl]pyrimidin-2-amine
SMILESCCNc1nc(C)cc(N2CCN(Cc3cnoc3C)CC2)n1
InChIInChI=1S/C16H24N6O/c1-4-17-16-19-12(2)9-15(20-16)22-7-5-21(6-8-22)11-14-10-18-23-13(14)3/h9-10H,4-8,11H2,1-3H3,(H,17,19,20)
InChIKeyMESRWZFDTMQGTE-UHFFFAOYSA-N
MW316.41 g/mol
LogP1.84
Rot. Bonds5

About N-ethyl-4-methyl-6-[4-[(5-methyl-1,2-oxazol-4-yl)methyl]piperazin-1-yl]pyrimidin-2-amine

N-ethyl-4-methyl-6-[4-[(5-methyl-1,2-oxazol-4-yl)methyl]piperazin-1-yl]pyrimidin-2-amine (PubChem CID 154583151) has the molecular formula C16H24N6O and a molecular weight of 316.41 g/mol. Its IUPAC name is N-ethyl-4-methyl-6-[4-[(5-methyl-1,2-oxazol-4-yl)methyl]piperazin-1-yl]pyrimidin-2-amine.

Molecular Properties

Compound NameN-ethyl-4-methyl-6-[4-[(5-methyl-1,2-oxazol-4-yl)methyl]piperazin-1-yl]pyrimidin-2-amine
PubChem CID154583151
Molecular FormulaC16H24N6O
Molecular Weight316.41 g/mol
Exact Mass316.20
IUPAC NameN-ethyl-4-methyl-6-[4-[(5-methyl-1,2-oxazol-4-yl)methyl]piperazin-1-yl]pyrimidin-2-amine
SMILESCCNc1nc(C)cc(N2CCN(Cc3cnoc3C)CC2)n1
InChIInChI=1S/C16H24N6O/c1-4-17-16-19-12(2)9-15(20-16)22-7-5-21(6-8-22)11-14-10-18-23-13(14)3/h9-10H,4-8,11H2,1-3H3,(H,17,19,20)
InChIKeyMESRWZFDTMQGTE-UHFFFAOYSA-N
XLogP1.84
TPSA70.32 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.41
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-methyl-6-[4-[(5-methyl-1,2-oxazol-4-yl)methyl]piperazin-1-yl]pyrimidin-2-amine?
The IUPAC name of N-ethyl-4-methyl-6-[4-[(5-methyl-1,2-oxazol-4-yl)methyl]piperazin-1-yl]pyrimidin-2-amine (CID 154583151) is N-ethyl-4-methyl-6-[4-[(5-methyl-1,2-oxazol-4-yl)methyl]piperazin-1-yl]pyrimidin-2-amine.
What is the SMILES notation for N-ethyl-4-methyl-6-[4-[(5-methyl-1,2-oxazol-4-yl)methyl]piperazin-1-yl]pyrimidin-2-amine?
The canonical SMILES for N-ethyl-4-methyl-6-[4-[(5-methyl-1,2-oxazol-4-yl)methyl]piperazin-1-yl]pyrimidin-2-amine is CCNc1nc(C)cc(N2CCN(Cc3cnoc3C)CC2)n1.
What is the InChIKey of N-ethyl-4-methyl-6-[4-[(5-methyl-1,2-oxazol-4-yl)methyl]piperazin-1-yl]pyrimidin-2-amine?
The InChIKey is MESRWZFDTMQGTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N6O/c1-4-17-16-19-12(2)9-15(20-16)22-7-5-21(6-8-22)11-14-10-18-23-13(14)3/h9-10H,4-8,11H2,1-3H3,(H,17,19,20).
What are the key properties of N-ethyl-4-methyl-6-[4-[(5-methyl-1,2-oxazol-4-yl)methyl]piperazin-1-yl]pyrimidin-2-amine?
N-ethyl-4-methyl-6-[4-[(5-methyl-1,2-oxazol-4-yl)methyl]piperazin-1-yl]pyrimidin-2-amine has a molecular weight of 316.41 g/mol, XLogP of 1.84, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-methyl-6-[4-[(5-methyl-1,2-oxazol-4-yl)methyl]piperazin-1-yl]pyrimidin-2-amine is sourced from PubChem (CID 154583151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).