5-methoxy-4-N-[1-(trifluoromethyl)cyclopropyl]pyrimidine-4,6-diamine

C9H11F3N4O — CID 106219502

IUPAC5-methoxy-4-N-[1-(trifluoromethyl)cyclopropyl]pyrimidine-4,6-diamine
SMILESCOc1c(N)ncnc1NC1(C(F)(F)F)CC1
InChIInChI=1S/C9H11F3N4O/c1-17-5-6(13)14-4-15-7(5)16-8(2-3-8)9(10,11)12/h4H,2-3H2,1H3,(H3,13,14,15,16)
InChIKeyDYRFSURWVKIOND-UHFFFAOYSA-N
MW248.21 g/mol
LogP1.57
Rot. Bonds3

About 5-methoxy-4-N-[1-(trifluoromethyl)cyclopropyl]pyrimidine-4,6-diamine

5-methoxy-4-N-[1-(trifluoromethyl)cyclopropyl]pyrimidine-4,6-diamine (PubChem CID 106219502) has the molecular formula C9H11F3N4O and a molecular weight of 248.21 g/mol. Its IUPAC name is 5-methoxy-4-N-[1-(trifluoromethyl)cyclopropyl]pyrimidine-4,6-diamine.

Molecular Properties

Compound Name5-methoxy-4-N-[1-(trifluoromethyl)cyclopropyl]pyrimidine-4,6-diamine
PubChem CID106219502
Molecular FormulaC9H11F3N4O
Molecular Weight248.21 g/mol
Exact Mass248.09
IUPAC Name5-methoxy-4-N-[1-(trifluoromethyl)cyclopropyl]pyrimidine-4,6-diamine
SMILESCOc1c(N)ncnc1NC1(C(F)(F)F)CC1
InChIInChI=1S/C9H11F3N4O/c1-17-5-6(13)14-4-15-7(5)16-8(2-3-8)9(10,11)12/h4H,2-3H2,1H3,(H3,13,14,15,16)
InChIKeyDYRFSURWVKIOND-UHFFFAOYSA-N
XLogP1.57
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.21
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-methoxy-4-N-(4,4,4-trifluorobutyl)pyrimidine-2,4-diamine
CID 89966608
4-N-(4-fluorobutyl)-5-methoxypyrimidine-2,4-diamine
CID 89966657
5-(Difluoromethoxy)-6-morpholin-4-ylpyrimidin-4-amine
CID 166129551
6-chloro-5-methoxy-N-(3,3,3-trifluoropropyl)pyrimidin-4-amine
CID 81724398
6-N-ethyl-5-methoxy-4-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidine-4,6-diamine
CID 81725306
5-methoxy-4-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidine-4,6-diamine
CID 81725380
5-methoxy-6-N-methyl-4-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidine-4,6-diamine
CID 81725455
6-N-ethyl-5-methoxy-4-N-(3,3,3-trifluoropropyl)pyrimidine-4,6-diamine
CID 81725519
5-methoxy-4-N-(3,3,3-trifluoropropyl)pyrimidine-4,6-diamine
CID 81725594
5-methoxy-6-N-propyl-4-N-(3,3,3-trifluoropropyl)pyrimidine-4,6-diamine
CID 81725595
5-methoxy-6-N-methyl-4-N-(3,3,3-trifluoropropyl)pyrimidine-4,6-diamine
CID 81725672
6-N-ethyl-5-methoxy-4-N-methyl-4-N-(3,3,3-trifluoropropyl)pyrimidine-4,6-diamine
CID 81725699

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-4-N-[1-(trifluoromethyl)cyclopropyl]pyrimidine-4,6-diamine?
The IUPAC name of 5-methoxy-4-N-[1-(trifluoromethyl)cyclopropyl]pyrimidine-4,6-diamine (CID 106219502) is 5-methoxy-4-N-[1-(trifluoromethyl)cyclopropyl]pyrimidine-4,6-diamine.
What is the SMILES notation for 5-methoxy-4-N-[1-(trifluoromethyl)cyclopropyl]pyrimidine-4,6-diamine?
The canonical SMILES for 5-methoxy-4-N-[1-(trifluoromethyl)cyclopropyl]pyrimidine-4,6-diamine is COc1c(N)ncnc1NC1(C(F)(F)F)CC1.
What is the InChIKey of 5-methoxy-4-N-[1-(trifluoromethyl)cyclopropyl]pyrimidine-4,6-diamine?
The InChIKey is DYRFSURWVKIOND-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F3N4O/c1-17-5-6(13)14-4-15-7(5)16-8(2-3-8)9(10,11)12/h4H,2-3H2,1H3,(H3,13,14,15,16).
What are the key properties of 5-methoxy-4-N-[1-(trifluoromethyl)cyclopropyl]pyrimidine-4,6-diamine?
5-methoxy-4-N-[1-(trifluoromethyl)cyclopropyl]pyrimidine-4,6-diamine has a molecular weight of 248.21 g/mol, XLogP of 1.57, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-4-N-[1-(trifluoromethyl)cyclopropyl]pyrimidine-4,6-diamine is sourced from PubChem (CID 106219502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).