6-(morpholin-4-ylmethyl)-5-(trifluoromethyl)pyrimidine-2,4-diamine

C10H14F3N5O — CID 67052719

IUPAC6-(morpholin-4-ylmethyl)-5-(trifluoromethyl)pyrimidine-2,4-diamine
SMILESNc1nc(N)c(C(F)(F)F)c(CN2CCOCC2)n1
InChIInChI=1S/C10H14F3N5O/c11-10(12,13)7-6(16-9(15)17-8(7)14)5-18-1-3-19-4-2-18/h1-5H2,(H4,14,15,16,17)
InChIKeyVPRWBTLYQBNIHO-UHFFFAOYSA-N
MW277.25 g/mol
LogP0.49
Rot. Bonds2

About 6-(morpholin-4-ylmethyl)-5-(trifluoromethyl)pyrimidine-2,4-diamine

6-(morpholin-4-ylmethyl)-5-(trifluoromethyl)pyrimidine-2,4-diamine (PubChem CID 67052719) has the molecular formula C10H14F3N5O and a molecular weight of 277.25 g/mol. Its IUPAC name is 6-(morpholin-4-ylmethyl)-5-(trifluoromethyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name6-(morpholin-4-ylmethyl)-5-(trifluoromethyl)pyrimidine-2,4-diamine
PubChem CID67052719
Molecular FormulaC10H14F3N5O
Molecular Weight277.25 g/mol
Exact Mass277.12
IUPAC Name6-(morpholin-4-ylmethyl)-5-(trifluoromethyl)pyrimidine-2,4-diamine
SMILESNc1nc(N)c(C(F)(F)F)c(CN2CCOCC2)n1
InChIInChI=1S/C10H14F3N5O/c11-10(12,13)7-6(16-9(15)17-8(7)14)5-18-1-3-19-4-2-18/h1-5H2,(H4,14,15,16,17)
InChIKeyVPRWBTLYQBNIHO-UHFFFAOYSA-N
XLogP0.49
TPSA90.29 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.25
LogP ≤ 50.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-Ethyl-4-methyl-6-(morpholin-4-yl)pyrimidin-2-amine
CID 879218
4-N-butyl-6-methyl-5-(3-morpholin-4-ylprop-1-ynyl)pyrimidine-2,4-diamine
CID 135271040
4-[5,6-Dimethyl-2-(trifluoromethyl)pyrimidin-4-YL]-1,8-dioxa-4,11-diazaspiro[5.6]dodecane
CID 56882482
5,6-dimethyl-N-[(4-methyl-1,4-oxazepan-6-yl)methyl]-2-(trifluoromethyl)pyrimidin-4-amine
CID 56904931
6-(3-Morpholin-4-ylpropyl)-5-(trifluoromethyl)pyrimidine-2,4-diamine
CID 68695917
4-Morpholin-4-yl-6-(trifluoromethyl)pyrimidin-2-amine
CID 83398233
4-(2-chloro-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-yl)morpholine trifluoroacetate
CID 86663163
4-(2,2-Dimethylmorpholin-4-yl)-6-(trifluoromethyl)pyrimidin-2-amine
CID 114564196
2-Morpholin-4-yl-6-(trifluoromethyl)pyrimidin-4-amine
CID 172310873
N-[amino-[2-amino-4-(difluoromethyl)pyrimidin-5-yl]methylidene]morpholine-4-carboximidamide
CID 174352551
4,5-Diamino-6-methyl-2-morpholinopyrimidine
CID 13665783
4-[5,6-Dimethyl-2-(trifluoromethyl)pyrimidin-4-yl]morpholine
CID 2745463

Frequently Asked Questions

What is the IUPAC name of 6-(morpholin-4-ylmethyl)-5-(trifluoromethyl)pyrimidine-2,4-diamine?
The IUPAC name of 6-(morpholin-4-ylmethyl)-5-(trifluoromethyl)pyrimidine-2,4-diamine (CID 67052719) is 6-(morpholin-4-ylmethyl)-5-(trifluoromethyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 6-(morpholin-4-ylmethyl)-5-(trifluoromethyl)pyrimidine-2,4-diamine?
The canonical SMILES for 6-(morpholin-4-ylmethyl)-5-(trifluoromethyl)pyrimidine-2,4-diamine is Nc1nc(N)c(C(F)(F)F)c(CN2CCOCC2)n1.
What is the InChIKey of 6-(morpholin-4-ylmethyl)-5-(trifluoromethyl)pyrimidine-2,4-diamine?
The InChIKey is VPRWBTLYQBNIHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3N5O/c11-10(12,13)7-6(16-9(15)17-8(7)14)5-18-1-3-19-4-2-18/h1-5H2,(H4,14,15,16,17).
What are the key properties of 6-(morpholin-4-ylmethyl)-5-(trifluoromethyl)pyrimidine-2,4-diamine?
6-(morpholin-4-ylmethyl)-5-(trifluoromethyl)pyrimidine-2,4-diamine has a molecular weight of 277.25 g/mol, XLogP of 0.49, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(morpholin-4-ylmethyl)-5-(trifluoromethyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 67052719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).