N-[4-(dimethylamino)-6-methoxypyrimidin-5-yl]-2,2,3,3-tetrafluoropropanamide

C10H12F4N4O2 — CID 122148107

IUPACN-[4-(dimethylamino)-6-methoxypyrimidin-5-yl]-2,2,3,3-tetrafluoropropanamide
SMILESCOc1ncnc(N(C)C)c1NC(=O)C(F)(F)C(F)F
InChIInChI=1S/C10H12F4N4O2/c1-18(2)6-5(7(20-3)16-4-15-6)17-9(19)10(13,14)8(11)12/h4,8H,1-3H3,(H,17,19)
InChIKeyMQKYKDPKCREVOQ-UHFFFAOYSA-N
MW296.22 g/mol
LogP1.39
Rot. Bonds5

About N-[4-(dimethylamino)-6-methoxypyrimidin-5-yl]-2,2,3,3-tetrafluoropropanamide

N-[4-(dimethylamino)-6-methoxypyrimidin-5-yl]-2,2,3,3-tetrafluoropropanamide (PubChem CID 122148107) has the molecular formula C10H12F4N4O2 and a molecular weight of 296.22 g/mol. Its IUPAC name is N-[4-(dimethylamino)-6-methoxypyrimidin-5-yl]-2,2,3,3-tetrafluoropropanamide.

Molecular Properties

Compound NameN-[4-(dimethylamino)-6-methoxypyrimidin-5-yl]-2,2,3,3-tetrafluoropropanamide
PubChem CID122148107
Molecular FormulaC10H12F4N4O2
Molecular Weight296.22 g/mol
Exact Mass296.09
IUPAC NameN-[4-(dimethylamino)-6-methoxypyrimidin-5-yl]-2,2,3,3-tetrafluoropropanamide
SMILESCOc1ncnc(N(C)C)c1NC(=O)C(F)(F)C(F)F
InChIInChI=1S/C10H12F4N4O2/c1-18(2)6-5(7(20-3)16-4-15-6)17-9(19)10(13,14)8(11)12/h4,8H,1-3H3,(H,17,19)
InChIKeyMQKYKDPKCREVOQ-UHFFFAOYSA-N
XLogP1.39
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.22
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Related Compounds

6-methoxy-4-N,4-N-dimethylpyrimidine-4,5-diamine
CID 10419563
Heteromine G
CID 10561164
Heteromine F
CID 10610035
Heteromine H
CID 10774848
2-Amino-4-methoxy-5,7,8,9-tetrahydropyrimido[4,5-b][1,4]diazepin-6-one
CID 71451068
N-[2-methoxy-4-(trifluoromethoxy)pyrimidin-5-yl]acetamide
CID 132007009
N-(2,4-dimethoxypyrimidin-5-yl)propionamide
CID 71807563
2-amino-4-methoxy-8-methyl-7(8H)-pteridinone
CID 130016801
2,4-dimethoxy-6-methyl-7(8H)-pteridinone
CID 822294
1-[4-(Dimethylamino)-6-methoxypyrimidin-5-yl]-3-(2,2,3,3-tetrafluoropropyl)urea
CID 99800241
N-(2-fluoro-4,6-dimethoxypyrimidin-5-yl)-2-methylpropanamide
CID 123254457
N-[4-(trifluoromethoxy)pyrimidin-5-yl]acetamide
CID 132027210

Frequently Asked Questions

What is the IUPAC name of N-[4-(dimethylamino)-6-methoxypyrimidin-5-yl]-2,2,3,3-tetrafluoropropanamide?
The IUPAC name of N-[4-(dimethylamino)-6-methoxypyrimidin-5-yl]-2,2,3,3-tetrafluoropropanamide (CID 122148107) is N-[4-(dimethylamino)-6-methoxypyrimidin-5-yl]-2,2,3,3-tetrafluoropropanamide.
What is the SMILES notation for N-[4-(dimethylamino)-6-methoxypyrimidin-5-yl]-2,2,3,3-tetrafluoropropanamide?
The canonical SMILES for N-[4-(dimethylamino)-6-methoxypyrimidin-5-yl]-2,2,3,3-tetrafluoropropanamide is COc1ncnc(N(C)C)c1NC(=O)C(F)(F)C(F)F.
What is the InChIKey of N-[4-(dimethylamino)-6-methoxypyrimidin-5-yl]-2,2,3,3-tetrafluoropropanamide?
The InChIKey is MQKYKDPKCREVOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F4N4O2/c1-18(2)6-5(7(20-3)16-4-15-6)17-9(19)10(13,14)8(11)12/h4,8H,1-3H3,(H,17,19).
What are the key properties of N-[4-(dimethylamino)-6-methoxypyrimidin-5-yl]-2,2,3,3-tetrafluoropropanamide?
N-[4-(dimethylamino)-6-methoxypyrimidin-5-yl]-2,2,3,3-tetrafluoropropanamide has a molecular weight of 296.22 g/mol, XLogP of 1.39, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(dimethylamino)-6-methoxypyrimidin-5-yl]-2,2,3,3-tetrafluoropropanamide is sourced from PubChem (CID 122148107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).