4-(2-tert-butyl-6-chloro-5-methylpyrimidin-4-yl)morpholine-2-carbonitrile

C14H19ClN4O — CID 80977699

IUPAC4-(2-tert-butyl-6-chloro-5-methylpyrimidin-4-yl)morpholine-2-carbonitrile
SMILESCc1c(Cl)nc(C(C)(C)C)nc1N1CCOC(C#N)C1
InChIInChI=1S/C14H19ClN4O/c1-9-11(15)17-13(14(2,3)4)18-12(9)19-5-6-20-10(7-16)8-19/h10H,5-6,8H2,1-4H3
InChIKeyLNVMUHDWUUKCOP-UHFFFAOYSA-N
MW294.79 g/mol
LogP2.46
Rot. Bonds1

About 4-(2-tert-butyl-6-chloro-5-methylpyrimidin-4-yl)morpholine-2-carbonitrile

4-(2-tert-butyl-6-chloro-5-methylpyrimidin-4-yl)morpholine-2-carbonitrile (PubChem CID 80977699) has the molecular formula C14H19ClN4O and a molecular weight of 294.79 g/mol. Its IUPAC name is 4-(2-tert-butyl-6-chloro-5-methylpyrimidin-4-yl)morpholine-2-carbonitrile.

Molecular Properties

Compound Name4-(2-tert-butyl-6-chloro-5-methylpyrimidin-4-yl)morpholine-2-carbonitrile
PubChem CID80977699
Molecular FormulaC14H19ClN4O
Molecular Weight294.79 g/mol
Exact Mass294.12
IUPAC Name4-(2-tert-butyl-6-chloro-5-methylpyrimidin-4-yl)morpholine-2-carbonitrile
SMILESCc1c(Cl)nc(C(C)(C)C)nc1N1CCOC(C#N)C1
InChIInChI=1S/C14H19ClN4O/c1-9-11(15)17-13(14(2,3)4)18-12(9)19-5-6-20-10(7-16)8-19/h10H,5-6,8H2,1-4H3
InChIKeyLNVMUHDWUUKCOP-UHFFFAOYSA-N
XLogP2.46
TPSA62.04 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.79
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(2-tert-butyl-6-chloro-5-methylpyrimidin-4-yl)morpholine-2-carbonitrile?
The IUPAC name of 4-(2-tert-butyl-6-chloro-5-methylpyrimidin-4-yl)morpholine-2-carbonitrile (CID 80977699) is 4-(2-tert-butyl-6-chloro-5-methylpyrimidin-4-yl)morpholine-2-carbonitrile.
What is the SMILES notation for 4-(2-tert-butyl-6-chloro-5-methylpyrimidin-4-yl)morpholine-2-carbonitrile?
The canonical SMILES for 4-(2-tert-butyl-6-chloro-5-methylpyrimidin-4-yl)morpholine-2-carbonitrile is Cc1c(Cl)nc(C(C)(C)C)nc1N1CCOC(C#N)C1.
What is the InChIKey of 4-(2-tert-butyl-6-chloro-5-methylpyrimidin-4-yl)morpholine-2-carbonitrile?
The InChIKey is LNVMUHDWUUKCOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN4O/c1-9-11(15)17-13(14(2,3)4)18-12(9)19-5-6-20-10(7-16)8-19/h10H,5-6,8H2,1-4H3.
What are the key properties of 4-(2-tert-butyl-6-chloro-5-methylpyrimidin-4-yl)morpholine-2-carbonitrile?
4-(2-tert-butyl-6-chloro-5-methylpyrimidin-4-yl)morpholine-2-carbonitrile has a molecular weight of 294.79 g/mol, XLogP of 2.46, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-tert-butyl-6-chloro-5-methylpyrimidin-4-yl)morpholine-2-carbonitrile is sourced from PubChem (CID 80977699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).