5-ethyl-N-[(1R)-2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]-2-methylpyrimidin-4-amine

C14H21N5O — CID 95143448

IUPAC5-ethyl-N-[(1R)-2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]-2-methylpyrimidin-4-amine
SMILESCCc1cnc(C)nc1N[C@@H](COC)c1ccnn1C
InChIInChI=1S/C14H21N5O/c1-5-11-8-15-10(2)17-14(11)18-12(9-20-4)13-6-7-16-19(13)3/h6-8,12H,5,9H2,1-4H3,(H,15,17,18)/t12-/m0/s1
InChIKeyBUJCMYJPKFFBMV-LBPRGKRZSA-N
MW275.36 g/mol
LogP1.88
Rot. Bonds6

About 5-ethyl-N-[(1R)-2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]-2-methylpyrimidin-4-amine

5-ethyl-N-[(1R)-2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]-2-methylpyrimidin-4-amine (PubChem CID 95143448) has the molecular formula C14H21N5O and a molecular weight of 275.36 g/mol. Its IUPAC name is 5-ethyl-N-[(1R)-2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]-2-methylpyrimidin-4-amine.

Molecular Properties

Compound Name5-ethyl-N-[(1R)-2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]-2-methylpyrimidin-4-amine
PubChem CID95143448
Molecular FormulaC14H21N5O
Molecular Weight275.36 g/mol
Exact Mass275.17
IUPAC Name5-ethyl-N-[(1R)-2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]-2-methylpyrimidin-4-amine
SMILESCCc1cnc(C)nc1N[C@@H](COC)c1ccnn1C
InChIInChI=1S/C14H21N5O/c1-5-11-8-15-10(2)17-14(11)18-12(9-20-4)13-6-7-16-19(13)3/h6-8,12H,5,9H2,1-4H3,(H,15,17,18)/t12-/m0/s1
InChIKeyBUJCMYJPKFFBMV-LBPRGKRZSA-N
XLogP1.88
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.36
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-N-[(1R)-2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]-2-methylpyrimidin-4-amine?
The IUPAC name of 5-ethyl-N-[(1R)-2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]-2-methylpyrimidin-4-amine (CID 95143448) is 5-ethyl-N-[(1R)-2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]-2-methylpyrimidin-4-amine.
What is the SMILES notation for 5-ethyl-N-[(1R)-2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]-2-methylpyrimidin-4-amine?
The canonical SMILES for 5-ethyl-N-[(1R)-2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]-2-methylpyrimidin-4-amine is CCc1cnc(C)nc1N[C@@H](COC)c1ccnn1C.
What is the InChIKey of 5-ethyl-N-[(1R)-2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]-2-methylpyrimidin-4-amine?
The InChIKey is BUJCMYJPKFFBMV-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H21N5O/c1-5-11-8-15-10(2)17-14(11)18-12(9-20-4)13-6-7-16-19(13)3/h6-8,12H,5,9H2,1-4H3,(H,15,17,18)/t12-/m0/s1.
What are the key properties of 5-ethyl-N-[(1R)-2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]-2-methylpyrimidin-4-amine?
5-ethyl-N-[(1R)-2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]-2-methylpyrimidin-4-amine has a molecular weight of 275.36 g/mol, XLogP of 1.88, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-N-[(1R)-2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]-2-methylpyrimidin-4-amine is sourced from PubChem (CID 95143448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).