2-N-[1-(2-amino-2-methylpropyl)-5-chloropyrazol-4-yl]-4-N-ethyl-5-(trifluoromethyl)pyrimidine-2,4-diamine

C14H19ClF3N7 — CID 69281587

IUPAC2-N-[1-(2-amino-2-methylpropyl)-5-chloropyrazol-4-yl]-4-N-ethyl-5-(trifluoromethyl)pyrimidine-2,4-diamine
SMILESCCNc1nc(Nc2cnn(CC(C)(C)N)c2Cl)ncc1C(F)(F)F
InChIInChI=1S/C14H19ClF3N7/c1-4-20-11-8(14(16,17)18)5-21-12(24-11)23-9-6-22-25(10(9)15)7-13(2,3)19/h5-6H,4,7,19H2,1-3H3,(H2,20,21,23,24)
InChIKeyYYBDJQKXDNLZKS-UHFFFAOYSA-N
MW377.80 g/mol
LogP3.26
Rot. Bonds6

About 2-N-[1-(2-amino-2-methylpropyl)-5-chloropyrazol-4-yl]-4-N-ethyl-5-(trifluoromethyl)pyrimidine-2,4-diamine

2-N-[1-(2-amino-2-methylpropyl)-5-chloropyrazol-4-yl]-4-N-ethyl-5-(trifluoromethyl)pyrimidine-2,4-diamine (PubChem CID 69281587) has the molecular formula C14H19ClF3N7 and a molecular weight of 377.80 g/mol. Its IUPAC name is 2-N-[1-(2-amino-2-methylpropyl)-5-chloropyrazol-4-yl]-4-N-ethyl-5-(trifluoromethyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-[1-(2-amino-2-methylpropyl)-5-chloropyrazol-4-yl]-4-N-ethyl-5-(trifluoromethyl)pyrimidine-2,4-diamine
PubChem CID69281587
Molecular FormulaC14H19ClF3N7
Molecular Weight377.80 g/mol
Exact Mass377.13
IUPAC Name2-N-[1-(2-amino-2-methylpropyl)-5-chloropyrazol-4-yl]-4-N-ethyl-5-(trifluoromethyl)pyrimidine-2,4-diamine
SMILESCCNc1nc(Nc2cnn(CC(C)(C)N)c2Cl)ncc1C(F)(F)F
InChIInChI=1S/C14H19ClF3N7/c1-4-20-11-8(14(16,17)18)5-21-12(24-11)23-9-6-22-25(10(9)15)7-13(2,3)19/h5-6H,4,7,19H2,1-3H3,(H2,20,21,23,24)
InChIKeyYYBDJQKXDNLZKS-UHFFFAOYSA-N
XLogP3.26
TPSA93.68 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.80
LogP ≤ 53.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-N-[1-(2-amino-2-methylpropyl)-5-chloropyrazol-4-yl]-4-N-ethyl-5-(trifluoromethyl)pyrimidine-2,4-diamine?
The IUPAC name of 2-N-[1-(2-amino-2-methylpropyl)-5-chloropyrazol-4-yl]-4-N-ethyl-5-(trifluoromethyl)pyrimidine-2,4-diamine (CID 69281587) is 2-N-[1-(2-amino-2-methylpropyl)-5-chloropyrazol-4-yl]-4-N-ethyl-5-(trifluoromethyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-[1-(2-amino-2-methylpropyl)-5-chloropyrazol-4-yl]-4-N-ethyl-5-(trifluoromethyl)pyrimidine-2,4-diamine?
The canonical SMILES for 2-N-[1-(2-amino-2-methylpropyl)-5-chloropyrazol-4-yl]-4-N-ethyl-5-(trifluoromethyl)pyrimidine-2,4-diamine is CCNc1nc(Nc2cnn(CC(C)(C)N)c2Cl)ncc1C(F)(F)F.
What is the InChIKey of 2-N-[1-(2-amino-2-methylpropyl)-5-chloropyrazol-4-yl]-4-N-ethyl-5-(trifluoromethyl)pyrimidine-2,4-diamine?
The InChIKey is YYBDJQKXDNLZKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClF3N7/c1-4-20-11-8(14(16,17)18)5-21-12(24-11)23-9-6-22-25(10(9)15)7-13(2,3)19/h5-6H,4,7,19H2,1-3H3,(H2,20,21,23,24).
What are the key properties of 2-N-[1-(2-amino-2-methylpropyl)-5-chloropyrazol-4-yl]-4-N-ethyl-5-(trifluoromethyl)pyrimidine-2,4-diamine?
2-N-[1-(2-amino-2-methylpropyl)-5-chloropyrazol-4-yl]-4-N-ethyl-5-(trifluoromethyl)pyrimidine-2,4-diamine has a molecular weight of 377.80 g/mol, XLogP of 3.26, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[1-(2-amino-2-methylpropyl)-5-chloropyrazol-4-yl]-4-N-ethyl-5-(trifluoromethyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 69281587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).