N-[2-(1-methylpyrrolidin-2-yl)ethyl]-4-(3,3,3-trifluoropropyl)pyrimidin-2-amine

C14H21F3N4 — CID 56874670

IUPACN-[2-(1-methylpyrrolidin-2-yl)ethyl]-4-(3,3,3-trifluoropropyl)pyrimidin-2-amine
SMILESCN1CCCC1CCNc1nccc(CCC(F)(F)F)n1
InChIInChI=1S/C14H21F3N4/c1-21-10-2-3-12(21)6-9-19-13-18-8-5-11(20-13)4-7-14(15,16)17/h5,8,12H,2-4,6-7,9-10H2,1H3,(H,18,19,20)
InChIKeyFUQPSZKGIKCDQJ-UHFFFAOYSA-N
MW302.34 g/mol
LogP2.87
Rot. Bonds6

About N-[2-(1-methylpyrrolidin-2-yl)ethyl]-4-(3,3,3-trifluoropropyl)pyrimidin-2-amine

N-[2-(1-methylpyrrolidin-2-yl)ethyl]-4-(3,3,3-trifluoropropyl)pyrimidin-2-amine (PubChem CID 56874670) has the molecular formula C14H21F3N4 and a molecular weight of 302.34 g/mol. Its IUPAC name is N-[2-(1-methylpyrrolidin-2-yl)ethyl]-4-(3,3,3-trifluoropropyl)pyrimidin-2-amine.

Molecular Properties

Compound NameN-[2-(1-methylpyrrolidin-2-yl)ethyl]-4-(3,3,3-trifluoropropyl)pyrimidin-2-amine
PubChem CID56874670
Molecular FormulaC14H21F3N4
Molecular Weight302.34 g/mol
Exact Mass302.17
IUPAC NameN-[2-(1-methylpyrrolidin-2-yl)ethyl]-4-(3,3,3-trifluoropropyl)pyrimidin-2-amine
SMILESCN1CCCC1CCNc1nccc(CCC(F)(F)F)n1
InChIInChI=1S/C14H21F3N4/c1-21-10-2-3-12(21)6-9-19-13-18-8-5-11(20-13)4-7-14(15,16)17/h5,8,12H,2-4,6-7,9-10H2,1H3,(H,18,19,20)
InChIKeyFUQPSZKGIKCDQJ-UHFFFAOYSA-N
XLogP2.87
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.34
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-butyl-6-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyrimidin-2-amine
CID 24992077
4-ethyl-6-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyrimidin-2-amine
CID 42624149
4-[(3R)-3-aminopyrrolidin-1-yl]-6-ethylpyrimidin-2-amine
CID 53258370
4-[(3R)-3-(methylamino)pyrrolidin-1-yl]-6-(3,3,3-trifluoropropyl)pyrimidin-2-amine
CID 53378928
(3R)-1-(6-ethylpyrimidin-4-yl)-N-methylpyrrolidin-3-amine
CID 118720433
4-[(3R)-3-(methylamino)pyrrolidin-1-yl]-6-(2,2,2-trifluoroethyl)pyrimidin-2-amine
CID 118720437
N-methyl-N-{[2-(methylamino)pyrimidin-5-yl]methyl}-4-(3,3,3-trifluoropropyl)pyrimidin-2-amine
CID 56877238
N-isopropyl-4-(trifluoromethyl)pyrimidin-2-amine
CID 2796113
N,N-dimethyl-4-propylpyrimidin-2-amine
CID 10820940
4-ethyl-N,N-dimethylpyrimidin-2-amine
CID 44347601
4-(Pyrrolidin-2-yl)pyrimidine
CID 13639423
Methyl[2-(pyrimidin-4-yl)ethyl]amine
CID 64868994

Frequently Asked Questions

What is the IUPAC name of N-[2-(1-methylpyrrolidin-2-yl)ethyl]-4-(3,3,3-trifluoropropyl)pyrimidin-2-amine?
The IUPAC name of N-[2-(1-methylpyrrolidin-2-yl)ethyl]-4-(3,3,3-trifluoropropyl)pyrimidin-2-amine (CID 56874670) is N-[2-(1-methylpyrrolidin-2-yl)ethyl]-4-(3,3,3-trifluoropropyl)pyrimidin-2-amine.
What is the SMILES notation for N-[2-(1-methylpyrrolidin-2-yl)ethyl]-4-(3,3,3-trifluoropropyl)pyrimidin-2-amine?
The canonical SMILES for N-[2-(1-methylpyrrolidin-2-yl)ethyl]-4-(3,3,3-trifluoropropyl)pyrimidin-2-amine is CN1CCCC1CCNc1nccc(CCC(F)(F)F)n1.
What is the InChIKey of N-[2-(1-methylpyrrolidin-2-yl)ethyl]-4-(3,3,3-trifluoropropyl)pyrimidin-2-amine?
The InChIKey is FUQPSZKGIKCDQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21F3N4/c1-21-10-2-3-12(21)6-9-19-13-18-8-5-11(20-13)4-7-14(15,16)17/h5,8,12H,2-4,6-7,9-10H2,1H3,(H,18,19,20).
What are the key properties of N-[2-(1-methylpyrrolidin-2-yl)ethyl]-4-(3,3,3-trifluoropropyl)pyrimidin-2-amine?
N-[2-(1-methylpyrrolidin-2-yl)ethyl]-4-(3,3,3-trifluoropropyl)pyrimidin-2-amine has a molecular weight of 302.34 g/mol, XLogP of 2.87, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-methylpyrrolidin-2-yl)ethyl]-4-(3,3,3-trifluoropropyl)pyrimidin-2-amine is sourced from PubChem (CID 56874670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).