5-chloro-N-[(3R)-pyrrolidin-3-yl]-4-(trifluoromethyl)pyrimidin-2-amine;hydrochloride

C9H11Cl2F3N4 — CID 153314239

IUPAC5-chloro-N-[(3R)-pyrrolidin-3-yl]-4-(trifluoromethyl)pyrimidin-2-amine;hydrochloride
SMILESCl.FC(F)(F)c1nc(N[C@@H]2CCNC2)ncc1Cl
InChIInChI=1S/C9H10ClF3N4.ClH/c10-6-4-15-8(16-5-1-2-14-3-5)17-7(6)9(11,12)13;/h4-5,14H,1-3H2,(H,15,16,17);1H/t5-;/m1./s1
InChIKeyRXJLXPCICFNUEU-NUBCRITNSA-N
MW303.12 g/mol
LogP2.34
Rot. Bonds2

About 5-chloro-N-[(3R)-pyrrolidin-3-yl]-4-(trifluoromethyl)pyrimidin-2-amine;hydrochloride

5-chloro-N-[(3R)-pyrrolidin-3-yl]-4-(trifluoromethyl)pyrimidin-2-amine;hydrochloride (PubChem CID 153314239) has the molecular formula C9H11Cl2F3N4 and a molecular weight of 303.12 g/mol. Its IUPAC name is 5-chloro-N-[(3R)-pyrrolidin-3-yl]-4-(trifluoromethyl)pyrimidin-2-amine;hydrochloride.

Molecular Properties

Compound Name5-chloro-N-[(3R)-pyrrolidin-3-yl]-4-(trifluoromethyl)pyrimidin-2-amine;hydrochloride
PubChem CID153314239
Molecular FormulaC9H11Cl2F3N4
Molecular Weight303.12 g/mol
Exact Mass302.03
IUPAC Name5-chloro-N-[(3R)-pyrrolidin-3-yl]-4-(trifluoromethyl)pyrimidin-2-amine;hydrochloride
SMILESCl.FC(F)(F)c1nc(N[C@@H]2CCNC2)ncc1Cl
InChIInChI=1S/C9H10ClF3N4.ClH/c10-6-4-15-8(16-5-1-2-14-3-5)17-7(6)9(11,12)13;/h4-5,14H,1-3H2,(H,15,16,17);1H/t5-;/m1./s1
InChIKeyRXJLXPCICFNUEU-NUBCRITNSA-N
XLogP2.34
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.12
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[(3R)-pyrrolidin-3-yl]-4-(trifluoromethyl)pyrimidin-2-amine;hydrochloride?
The IUPAC name of 5-chloro-N-[(3R)-pyrrolidin-3-yl]-4-(trifluoromethyl)pyrimidin-2-amine;hydrochloride (CID 153314239) is 5-chloro-N-[(3R)-pyrrolidin-3-yl]-4-(trifluoromethyl)pyrimidin-2-amine;hydrochloride.
What is the SMILES notation for 5-chloro-N-[(3R)-pyrrolidin-3-yl]-4-(trifluoromethyl)pyrimidin-2-amine;hydrochloride?
The canonical SMILES for 5-chloro-N-[(3R)-pyrrolidin-3-yl]-4-(trifluoromethyl)pyrimidin-2-amine;hydrochloride is Cl.FC(F)(F)c1nc(N[C@@H]2CCNC2)ncc1Cl.
What is the InChIKey of 5-chloro-N-[(3R)-pyrrolidin-3-yl]-4-(trifluoromethyl)pyrimidin-2-amine;hydrochloride?
The InChIKey is RXJLXPCICFNUEU-NUBCRITNSA-N. The full InChI is InChI=1S/C9H10ClF3N4.ClH/c10-6-4-15-8(16-5-1-2-14-3-5)17-7(6)9(11,12)13;/h4-5,14H,1-3H2,(H,15,16,17);1H/t5-;/m1./s1.
What are the key properties of 5-chloro-N-[(3R)-pyrrolidin-3-yl]-4-(trifluoromethyl)pyrimidin-2-amine;hydrochloride?
5-chloro-N-[(3R)-pyrrolidin-3-yl]-4-(trifluoromethyl)pyrimidin-2-amine;hydrochloride has a molecular weight of 303.12 g/mol, XLogP of 2.34, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[(3R)-pyrrolidin-3-yl]-4-(trifluoromethyl)pyrimidin-2-amine;hydrochloride is sourced from PubChem (CID 153314239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).