2-N-[3-[(1S,2R)-2-(aminomethyl)cyclopropyl]-1-cyclopropylpyrazol-5-yl]-4-N-ethyl-5-(trifluoromethyl)pyrimidine-2,4-diamine

C17H22F3N7 — CID 134278011

IUPAC2-N-[3-[(1S,2R)-2-(aminomethyl)cyclopropyl]-1-cyclopropylpyrazol-5-yl]-4-N-ethyl-5-(trifluoromethyl)pyrimidine-2,4-diamine
SMILESCCNc1nc(Nc2cc([C@H]3C[C@H]3CN)nn2C2CC2)ncc1C(F)(F)F
InChIInChI=1S/C17H22F3N7/c1-2-22-15-12(17(18,19)20)8-23-16(25-15)24-14-6-13(11-5-9(11)7-21)26-27(14)10-3-4-10/h6,8-11H,2-5,7,21H2,1H3,(H2,22,23,24,25)/t9-,11-/m0/s1
InChIKeyFRVNHQIDIDLEQJ-ONGXEEELSA-N
MW381.41 g/mol
LogP3.26
Rot. Bonds7

About 2-N-[3-[(1S,2R)-2-(aminomethyl)cyclopropyl]-1-cyclopropylpyrazol-5-yl]-4-N-ethyl-5-(trifluoromethyl)pyrimidine-2,4-diamine

2-N-[3-[(1S,2R)-2-(aminomethyl)cyclopropyl]-1-cyclopropylpyrazol-5-yl]-4-N-ethyl-5-(trifluoromethyl)pyrimidine-2,4-diamine (PubChem CID 134278011) has the molecular formula C17H22F3N7 and a molecular weight of 381.41 g/mol. Its IUPAC name is 2-N-[3-[(1S,2R)-2-(aminomethyl)cyclopropyl]-1-cyclopropylpyrazol-5-yl]-4-N-ethyl-5-(trifluoromethyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-[3-[(1S,2R)-2-(aminomethyl)cyclopropyl]-1-cyclopropylpyrazol-5-yl]-4-N-ethyl-5-(trifluoromethyl)pyrimidine-2,4-diamine
PubChem CID134278011
Molecular FormulaC17H22F3N7
Molecular Weight381.41 g/mol
Exact Mass381.19
IUPAC Name2-N-[3-[(1S,2R)-2-(aminomethyl)cyclopropyl]-1-cyclopropylpyrazol-5-yl]-4-N-ethyl-5-(trifluoromethyl)pyrimidine-2,4-diamine
SMILESCCNc1nc(Nc2cc([C@H]3C[C@H]3CN)nn2C2CC2)ncc1C(F)(F)F
InChIInChI=1S/C17H22F3N7/c1-2-22-15-12(17(18,19)20)8-23-16(25-15)24-14-6-13(11-5-9(11)7-21)26-27(14)10-3-4-10/h6,8-11H,2-5,7,21H2,1H3,(H2,22,23,24,25)/t9-,11-/m0/s1
InChIKeyFRVNHQIDIDLEQJ-ONGXEEELSA-N
XLogP3.26
TPSA93.68 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.41
LogP ≤ 53.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

N2-(3-(2-(2H-1,2,3-Triazol-2-yl)propan-2-yl)-1-cyclopropyl-1H-pyrazol-5-yl)-N4-ethyl-5-(trifluoromethyl)pyrimidine-2,4-diamine
CID 132232498
Istisociclib
CID 146502834
2-[5-[[4-(Ethylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]-1-methylpyrazol-3-yl]-2-methylpropanenitrile
CID 72191820
N~2~-[(Trans-4-Aminocyclohexyl)methyl]-N~4~-(3-Cyclopropyl-1h-Pyrazol-5-Yl)pyrimidine-2,4-Diamine
CID 91809513
N4-(5-Cyclopropyl-1H-pyrazol-3-yl)-5-fluoro-N2-[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]pyrimidine-2,4-diamine
CID 16659681
2-N-(4-aminocyclohexyl)-4-N-(5-cyclopropyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine
CID 122178555
4-N-butyl-6-methyl-5-(3-pyrazol-1-ylpropyl)pyrimidine-2,4-diamine
CID 135260428
3-Ethyl-5-(piperidin-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 53318090
N4-(5-cyclopropyl-1H-pyrazol-3-yl)-N2-isopentyl-pyrimidine-2,4-diamine
CID 70683297
N2-cyclohexyl-N4-(5-cyclopropyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine
CID 70689607
N2-(cyclopropylmethyl)-N4-(5-cyclopropyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine
CID 70689608
N2-cyclopentyl-N4-(5-cyclopropyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine
CID 70689609

Frequently Asked Questions

What is the IUPAC name of 2-N-[3-[(1S,2R)-2-(aminomethyl)cyclopropyl]-1-cyclopropylpyrazol-5-yl]-4-N-ethyl-5-(trifluoromethyl)pyrimidine-2,4-diamine?
The IUPAC name of 2-N-[3-[(1S,2R)-2-(aminomethyl)cyclopropyl]-1-cyclopropylpyrazol-5-yl]-4-N-ethyl-5-(trifluoromethyl)pyrimidine-2,4-diamine (CID 134278011) is 2-N-[3-[(1S,2R)-2-(aminomethyl)cyclopropyl]-1-cyclopropylpyrazol-5-yl]-4-N-ethyl-5-(trifluoromethyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-[3-[(1S,2R)-2-(aminomethyl)cyclopropyl]-1-cyclopropylpyrazol-5-yl]-4-N-ethyl-5-(trifluoromethyl)pyrimidine-2,4-diamine?
The canonical SMILES for 2-N-[3-[(1S,2R)-2-(aminomethyl)cyclopropyl]-1-cyclopropylpyrazol-5-yl]-4-N-ethyl-5-(trifluoromethyl)pyrimidine-2,4-diamine is CCNc1nc(Nc2cc([C@H]3C[C@H]3CN)nn2C2CC2)ncc1C(F)(F)F.
What is the InChIKey of 2-N-[3-[(1S,2R)-2-(aminomethyl)cyclopropyl]-1-cyclopropylpyrazol-5-yl]-4-N-ethyl-5-(trifluoromethyl)pyrimidine-2,4-diamine?
The InChIKey is FRVNHQIDIDLEQJ-ONGXEEELSA-N. The full InChI is InChI=1S/C17H22F3N7/c1-2-22-15-12(17(18,19)20)8-23-16(25-15)24-14-6-13(11-5-9(11)7-21)26-27(14)10-3-4-10/h6,8-11H,2-5,7,21H2,1H3,(H2,22,23,24,25)/t9-,11-/m0/s1.
What are the key properties of 2-N-[3-[(1S,2R)-2-(aminomethyl)cyclopropyl]-1-cyclopropylpyrazol-5-yl]-4-N-ethyl-5-(trifluoromethyl)pyrimidine-2,4-diamine?
2-N-[3-[(1S,2R)-2-(aminomethyl)cyclopropyl]-1-cyclopropylpyrazol-5-yl]-4-N-ethyl-5-(trifluoromethyl)pyrimidine-2,4-diamine has a molecular weight of 381.41 g/mol, XLogP of 3.26, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[3-[(1S,2R)-2-(aminomethyl)cyclopropyl]-1-cyclopropylpyrazol-5-yl]-4-N-ethyl-5-(trifluoromethyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 134278011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).