N-[6-[4-(aminomethyl)-3-(trifluoromethyl)phenyl]pyrimidin-4-yl]-5-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-amine

C19H20F3N7 — CID 118139452

IUPACN-[6-[4-(aminomethyl)-3-(trifluoromethyl)phenyl]pyrimidin-4-yl]-5-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-amine
SMILESCN1CCn2nc(Nc3cc(-c4ccc(CN)c(C(F)(F)F)c4)ncn3)cc2C1
InChIInChI=1S/C19H20F3N7/c1-28-4-5-29-14(10-28)7-18(27-29)26-17-8-16(24-11-25-17)12-2-3-13(9-23)15(6-12)19(20,21)22/h2-3,6-8,11H,4-5,9-10,23H2,1H3,(H,24,25,26,27)
InChIKeyKDZGQHHGVUIWDJ-UHFFFAOYSA-N
MW403.41 g/mol
LogP3.01
Rot. Bonds4

About N-[6-[4-(aminomethyl)-3-(trifluoromethyl)phenyl]pyrimidin-4-yl]-5-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-amine

N-[6-[4-(aminomethyl)-3-(trifluoromethyl)phenyl]pyrimidin-4-yl]-5-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-amine (PubChem CID 118139452) has the molecular formula C19H20F3N7 and a molecular weight of 403.41 g/mol. Its IUPAC name is N-[6-[4-(aminomethyl)-3-(trifluoromethyl)phenyl]pyrimidin-4-yl]-5-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-amine.

Molecular Properties

Compound NameN-[6-[4-(aminomethyl)-3-(trifluoromethyl)phenyl]pyrimidin-4-yl]-5-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-amine
PubChem CID118139452
Molecular FormulaC19H20F3N7
Molecular Weight403.41 g/mol
Exact Mass403.17
IUPAC NameN-[6-[4-(aminomethyl)-3-(trifluoromethyl)phenyl]pyrimidin-4-yl]-5-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-amine
SMILESCN1CCn2nc(Nc3cc(-c4ccc(CN)c(C(F)(F)F)c4)ncn3)cc2C1
InChIInChI=1S/C19H20F3N7/c1-28-4-5-29-14(10-28)7-18(27-29)26-17-8-16(24-11-25-17)12-2-3-13(9-23)15(6-12)19(20,21)22/h2-3,6-8,11H,4-5,9-10,23H2,1H3,(H,24,25,26,27)
InChIKeyKDZGQHHGVUIWDJ-UHFFFAOYSA-N
XLogP3.01
TPSA84.89 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.41
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[6-[4-(aminomethyl)-3-(trifluoromethyl)phenyl]pyrimidin-4-yl]-5-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-amine?
The IUPAC name of N-[6-[4-(aminomethyl)-3-(trifluoromethyl)phenyl]pyrimidin-4-yl]-5-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-amine (CID 118139452) is N-[6-[4-(aminomethyl)-3-(trifluoromethyl)phenyl]pyrimidin-4-yl]-5-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-amine.
What is the SMILES notation for N-[6-[4-(aminomethyl)-3-(trifluoromethyl)phenyl]pyrimidin-4-yl]-5-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-amine?
The canonical SMILES for N-[6-[4-(aminomethyl)-3-(trifluoromethyl)phenyl]pyrimidin-4-yl]-5-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-amine is CN1CCn2nc(Nc3cc(-c4ccc(CN)c(C(F)(F)F)c4)ncn3)cc2C1.
What is the InChIKey of N-[6-[4-(aminomethyl)-3-(trifluoromethyl)phenyl]pyrimidin-4-yl]-5-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-amine?
The InChIKey is KDZGQHHGVUIWDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F3N7/c1-28-4-5-29-14(10-28)7-18(27-29)26-17-8-16(24-11-25-17)12-2-3-13(9-23)15(6-12)19(20,21)22/h2-3,6-8,11H,4-5,9-10,23H2,1H3,(H,24,25,26,27).
What are the key properties of N-[6-[4-(aminomethyl)-3-(trifluoromethyl)phenyl]pyrimidin-4-yl]-5-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-amine?
N-[6-[4-(aminomethyl)-3-(trifluoromethyl)phenyl]pyrimidin-4-yl]-5-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-amine has a molecular weight of 403.41 g/mol, XLogP of 3.01, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[4-(aminomethyl)-3-(trifluoromethyl)phenyl]pyrimidin-4-yl]-5-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-amine is sourced from PubChem (CID 118139452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).