(2S)-2-(difluoromethyl)-4-(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)morpholine

C14H19F2N3O — CID 99839249

IUPAC(2S)-2-(difluoromethyl)-4-(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)morpholine
SMILESCc1nc2c(c(N3CCO[C@H](C(F)F)C3)n1)CCCC2
InChIInChI=1S/C14H19F2N3O/c1-9-17-11-5-3-2-4-10(11)14(18-9)19-6-7-20-12(8-19)13(15)16/h12-13H,2-8H2,1H3/t12-/m0/s1
InChIKeyAQGIZPQDLCJODI-LBPRGKRZSA-N
MW283.32 g/mol
LogP2.13
Rot. Bonds2

About (2S)-2-(difluoromethyl)-4-(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)morpholine

(2S)-2-(difluoromethyl)-4-(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)morpholine (PubChem CID 99839249) has the molecular formula C14H19F2N3O and a molecular weight of 283.32 g/mol. Its IUPAC name is (2S)-2-(difluoromethyl)-4-(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)morpholine.

Molecular Properties

Compound Name(2S)-2-(difluoromethyl)-4-(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)morpholine
PubChem CID99839249
Molecular FormulaC14H19F2N3O
Molecular Weight283.32 g/mol
Exact Mass283.15
IUPAC Name(2S)-2-(difluoromethyl)-4-(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)morpholine
SMILESCc1nc2c(c(N3CCO[C@H](C(F)F)C3)n1)CCCC2
InChIInChI=1S/C14H19F2N3O/c1-9-17-11-5-3-2-4-10(11)14(18-9)19-6-7-20-12(8-19)13(15)16/h12-13H,2-8H2,1H3/t12-/m0/s1
InChIKeyAQGIZPQDLCJODI-LBPRGKRZSA-N
XLogP2.13
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.32
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-butyl-6-methyl-5-(4-morpholin-4-ylbutyl)pyrimidine-2,4-diamine
CID 135271039
4-Methyl-2-morpholino-5,6,7,8-tetrahydroquinazoline
CID 1484754
4-[4-(trifluoromethyl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-2-yl]morpholine
CID 1955826
4-{2-Methyl-5H,6H,7H-cyclopenta[D]pyrimidin-4-YL}morpholine
CID 71836316
Ethyl {4-[4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazolin-2-yl]piperazin-1-yl}acetate
CID 50964622
4-(3-Morpholin-4-ylazetidin-1-yl)-5,6,7,8-tetrahydroquinazolin-2-amine
CID 72846995
6-ethyl-4-N,5-dimethyl-4-N-[[(2R)-oxan-2-yl]methyl]pyrimidine-2,4-diamine
CID 97113429
(6S)-2,2,6-trimethyl-4-(6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl)morpholine
CID 97850198
2,2-Difluoro-3-[4-(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)piperazin-1-yl]propan-1-ol
CID 138019284
(3S)-4-[2-chloro-7-(2,2-difluoroethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-3-methylmorpholine
CID 59239647
6,6-Difluoro-2-methoxy-4,8-di(propan-2-yl)-5,7-dihydropyrido[2,3-d]pyrimidine
CID 59590602
6-(3-Morpholin-4-ylpropyl)-5-(trifluoromethyl)pyrimidine-2,4-diamine
CID 68695917

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(difluoromethyl)-4-(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)morpholine?
The IUPAC name of (2S)-2-(difluoromethyl)-4-(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)morpholine (CID 99839249) is (2S)-2-(difluoromethyl)-4-(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)morpholine.
What is the SMILES notation for (2S)-2-(difluoromethyl)-4-(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)morpholine?
The canonical SMILES for (2S)-2-(difluoromethyl)-4-(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)morpholine is Cc1nc2c(c(N3CCO[C@H](C(F)F)C3)n1)CCCC2.
What is the InChIKey of (2S)-2-(difluoromethyl)-4-(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)morpholine?
The InChIKey is AQGIZPQDLCJODI-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H19F2N3O/c1-9-17-11-5-3-2-4-10(11)14(18-9)19-6-7-20-12(8-19)13(15)16/h12-13H,2-8H2,1H3/t12-/m0/s1.
What are the key properties of (2S)-2-(difluoromethyl)-4-(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)morpholine?
(2S)-2-(difluoromethyl)-4-(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)morpholine has a molecular weight of 283.32 g/mol, XLogP of 2.13, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(difluoromethyl)-4-(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)morpholine is sourced from PubChem (CID 99839249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).