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

C14H23F3N4 — CID 62283169

IUPAC4-(methylaminomethyl)-N,2-di(propan-2-yl)-N-(2,2,2-trifluoroethyl)pyrimidin-5-amine
SMILESCNCc1nc(C(C)C)ncc1N(CC(F)(F)F)C(C)C
InChIInChI=1S/C14H23F3N4/c1-9(2)13-19-7-12(11(20-13)6-18-5)21(10(3)4)8-14(15,16)17/h7,9-10,18H,6,8H2,1-5H3
InChIKeyMTLMVEUXCKNDHB-UHFFFAOYSA-N
MW304.36 g/mol
LogP3.10
Rot. Bonds6

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

4-(methylaminomethyl)-N,2-di(propan-2-yl)-N-(2,2,2-trifluoroethyl)pyrimidin-5-amine (PubChem CID 62283169) has the molecular formula C14H23F3N4 and a molecular weight of 304.36 g/mol. Its IUPAC name is 4-(methylaminomethyl)-N,2-di(propan-2-yl)-N-(2,2,2-trifluoroethyl)pyrimidin-5-amine.

Molecular Properties

Compound Name4-(methylaminomethyl)-N,2-di(propan-2-yl)-N-(2,2,2-trifluoroethyl)pyrimidin-5-amine
PubChem CID62283169
Molecular FormulaC14H23F3N4
Molecular Weight304.36 g/mol
Exact Mass304.19
IUPAC Name4-(methylaminomethyl)-N,2-di(propan-2-yl)-N-(2,2,2-trifluoroethyl)pyrimidin-5-amine
SMILESCNCc1nc(C(C)C)ncc1N(CC(F)(F)F)C(C)C
InChIInChI=1S/C14H23F3N4/c1-9(2)13-19-7-12(11(20-13)6-18-5)21(10(3)4)8-14(15,16)17/h7,9-10,18H,6,8H2,1-5H3
InChIKeyMTLMVEUXCKNDHB-UHFFFAOYSA-N
XLogP3.10
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.36
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(methylaminomethyl)-N,2-di(propan-2-yl)-N-(2,2,2-trifluoroethyl)pyrimidin-5-amine?
The IUPAC name of 4-(methylaminomethyl)-N,2-di(propan-2-yl)-N-(2,2,2-trifluoroethyl)pyrimidin-5-amine (CID 62283169) is 4-(methylaminomethyl)-N,2-di(propan-2-yl)-N-(2,2,2-trifluoroethyl)pyrimidin-5-amine.
What is the SMILES notation for 4-(methylaminomethyl)-N,2-di(propan-2-yl)-N-(2,2,2-trifluoroethyl)pyrimidin-5-amine?
The canonical SMILES for 4-(methylaminomethyl)-N,2-di(propan-2-yl)-N-(2,2,2-trifluoroethyl)pyrimidin-5-amine is CNCc1nc(C(C)C)ncc1N(CC(F)(F)F)C(C)C.
What is the InChIKey of 4-(methylaminomethyl)-N,2-di(propan-2-yl)-N-(2,2,2-trifluoroethyl)pyrimidin-5-amine?
The InChIKey is MTLMVEUXCKNDHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23F3N4/c1-9(2)13-19-7-12(11(20-13)6-18-5)21(10(3)4)8-14(15,16)17/h7,9-10,18H,6,8H2,1-5H3.
What are the key properties of 4-(methylaminomethyl)-N,2-di(propan-2-yl)-N-(2,2,2-trifluoroethyl)pyrimidin-5-amine?
4-(methylaminomethyl)-N,2-di(propan-2-yl)-N-(2,2,2-trifluoroethyl)pyrimidin-5-amine has a molecular weight of 304.36 g/mol, XLogP of 3.10, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methylaminomethyl)-N,2-di(propan-2-yl)-N-(2,2,2-trifluoroethyl)pyrimidin-5-amine is sourced from PubChem (CID 62283169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).