6-ethyl-N-methyl-2-morpholin-4-yl-N-[2-(1H-pyrazol-4-yl)ethyl]pyrimidin-4-amine

C16H24N6O — CID 50984798

IUPAC6-ethyl-N-methyl-2-morpholin-4-yl-N-[2-(1H-pyrazol-4-yl)ethyl]pyrimidin-4-amine
SMILESCCc1cc(N(C)CCc2cn[nH]c2)nc(N2CCOCC2)n1
InChIInChI=1S/C16H24N6O/c1-3-14-10-15(21(2)5-4-13-11-17-18-12-13)20-16(19-14)22-6-8-23-9-7-22/h10-12H,3-9H2,1-2H3,(H,17,18)
InChIKeyRFMDTDWNIPJPLT-UHFFFAOYSA-N
MW316.41 g/mol
LogP1.28
Rot. Bonds6

About 6-ethyl-N-methyl-2-morpholin-4-yl-N-[2-(1H-pyrazol-4-yl)ethyl]pyrimidin-4-amine

6-ethyl-N-methyl-2-morpholin-4-yl-N-[2-(1H-pyrazol-4-yl)ethyl]pyrimidin-4-amine (PubChem CID 50984798) has the molecular formula C16H24N6O and a molecular weight of 316.41 g/mol. Its IUPAC name is 6-ethyl-N-methyl-2-morpholin-4-yl-N-[2-(1H-pyrazol-4-yl)ethyl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-ethyl-N-methyl-2-morpholin-4-yl-N-[2-(1H-pyrazol-4-yl)ethyl]pyrimidin-4-amine
PubChem CID50984798
Molecular FormulaC16H24N6O
Molecular Weight316.41 g/mol
Exact Mass316.20
IUPAC Name6-ethyl-N-methyl-2-morpholin-4-yl-N-[2-(1H-pyrazol-4-yl)ethyl]pyrimidin-4-amine
SMILESCCc1cc(N(C)CCc2cn[nH]c2)nc(N2CCOCC2)n1
InChIInChI=1S/C16H24N6O/c1-3-14-10-15(21(2)5-4-13-11-17-18-12-13)20-16(19-14)22-6-8-23-9-7-22/h10-12H,3-9H2,1-2H3,(H,17,18)
InChIKeyRFMDTDWNIPJPLT-UHFFFAOYSA-N
XLogP1.28
TPSA70.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.41
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-ethyl-N-methyl-2-morpholin-4-yl-N-[2-(1H-pyrazol-4-yl)ethyl]pyrimidin-4-amine?
The IUPAC name of 6-ethyl-N-methyl-2-morpholin-4-yl-N-[2-(1H-pyrazol-4-yl)ethyl]pyrimidin-4-amine (CID 50984798) is 6-ethyl-N-methyl-2-morpholin-4-yl-N-[2-(1H-pyrazol-4-yl)ethyl]pyrimidin-4-amine.
What is the SMILES notation for 6-ethyl-N-methyl-2-morpholin-4-yl-N-[2-(1H-pyrazol-4-yl)ethyl]pyrimidin-4-amine?
The canonical SMILES for 6-ethyl-N-methyl-2-morpholin-4-yl-N-[2-(1H-pyrazol-4-yl)ethyl]pyrimidin-4-amine is CCc1cc(N(C)CCc2cn[nH]c2)nc(N2CCOCC2)n1.
What is the InChIKey of 6-ethyl-N-methyl-2-morpholin-4-yl-N-[2-(1H-pyrazol-4-yl)ethyl]pyrimidin-4-amine?
The InChIKey is RFMDTDWNIPJPLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N6O/c1-3-14-10-15(21(2)5-4-13-11-17-18-12-13)20-16(19-14)22-6-8-23-9-7-22/h10-12H,3-9H2,1-2H3,(H,17,18).
What are the key properties of 6-ethyl-N-methyl-2-morpholin-4-yl-N-[2-(1H-pyrazol-4-yl)ethyl]pyrimidin-4-amine?
6-ethyl-N-methyl-2-morpholin-4-yl-N-[2-(1H-pyrazol-4-yl)ethyl]pyrimidin-4-amine has a molecular weight of 316.41 g/mol, XLogP of 1.28, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-N-methyl-2-morpholin-4-yl-N-[2-(1H-pyrazol-4-yl)ethyl]pyrimidin-4-amine is sourced from PubChem (CID 50984798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).