N-cyclopropyl-4-(methylaminomethyl)-2-propan-2-yl-N-(2,2,2-trifluoroethyl)pyrimidin-5-amine

C14H21F3N4 — CID 62281790

IUPACN-cyclopropyl-4-(methylaminomethyl)-2-propan-2-yl-N-(2,2,2-trifluoroethyl)pyrimidin-5-amine
SMILESCNCc1nc(C(C)C)ncc1N(CC(F)(F)F)C1CC1
InChIInChI=1S/C14H21F3N4/c1-9(2)13-19-7-12(11(20-13)6-18-3)21(10-4-5-10)8-14(15,16)17/h7,9-10,18H,4-6,8H2,1-3H3
InChIKeyXQDYXIAXYHYKEV-UHFFFAOYSA-N
MW302.34 g/mol
LogP2.85
Rot. Bonds6

About N-cyclopropyl-4-(methylaminomethyl)-2-propan-2-yl-N-(2,2,2-trifluoroethyl)pyrimidin-5-amine

N-cyclopropyl-4-(methylaminomethyl)-2-propan-2-yl-N-(2,2,2-trifluoroethyl)pyrimidin-5-amine (PubChem CID 62281790) has the molecular formula C14H21F3N4 and a molecular weight of 302.34 g/mol. Its IUPAC name is N-cyclopropyl-4-(methylaminomethyl)-2-propan-2-yl-N-(2,2,2-trifluoroethyl)pyrimidin-5-amine.

Molecular Properties

Compound NameN-cyclopropyl-4-(methylaminomethyl)-2-propan-2-yl-N-(2,2,2-trifluoroethyl)pyrimidin-5-amine
PubChem CID62281790
Molecular FormulaC14H21F3N4
Molecular Weight302.34 g/mol
Exact Mass302.17
IUPAC NameN-cyclopropyl-4-(methylaminomethyl)-2-propan-2-yl-N-(2,2,2-trifluoroethyl)pyrimidin-5-amine
SMILESCNCc1nc(C(C)C)ncc1N(CC(F)(F)F)C1CC1
InChIInChI=1S/C14H21F3N4/c1-9(2)13-19-7-12(11(20-13)6-18-3)21(10-4-5-10)8-14(15,16)17/h7,9-10,18H,4-6,8H2,1-3H3
InChIKeyXQDYXIAXYHYKEV-UHFFFAOYSA-N
XLogP2.85
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 ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-(methylaminomethyl)-2-propan-2-yl-N-(2,2,2-trifluoroethyl)pyrimidin-5-amine?
The IUPAC name of N-cyclopropyl-4-(methylaminomethyl)-2-propan-2-yl-N-(2,2,2-trifluoroethyl)pyrimidin-5-amine (CID 62281790) is N-cyclopropyl-4-(methylaminomethyl)-2-propan-2-yl-N-(2,2,2-trifluoroethyl)pyrimidin-5-amine.
What is the SMILES notation for N-cyclopropyl-4-(methylaminomethyl)-2-propan-2-yl-N-(2,2,2-trifluoroethyl)pyrimidin-5-amine?
The canonical SMILES for N-cyclopropyl-4-(methylaminomethyl)-2-propan-2-yl-N-(2,2,2-trifluoroethyl)pyrimidin-5-amine is CNCc1nc(C(C)C)ncc1N(CC(F)(F)F)C1CC1.
What is the InChIKey of N-cyclopropyl-4-(methylaminomethyl)-2-propan-2-yl-N-(2,2,2-trifluoroethyl)pyrimidin-5-amine?
The InChIKey is XQDYXIAXYHYKEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21F3N4/c1-9(2)13-19-7-12(11(20-13)6-18-3)21(10-4-5-10)8-14(15,16)17/h7,9-10,18H,4-6,8H2,1-3H3.
What are the key properties of N-cyclopropyl-4-(methylaminomethyl)-2-propan-2-yl-N-(2,2,2-trifluoroethyl)pyrimidin-5-amine?
N-cyclopropyl-4-(methylaminomethyl)-2-propan-2-yl-N-(2,2,2-trifluoroethyl)pyrimidin-5-amine has a molecular weight of 302.34 g/mol, XLogP of 2.85, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-(methylaminomethyl)-2-propan-2-yl-N-(2,2,2-trifluoroethyl)pyrimidin-5-amine is sourced from PubChem (CID 62281790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).