N-cyclopropyl-4-methyl-5-(methylaminomethyl)-N-(thiophen-3-ylmethyl)pyrimidin-2-amine

C15H20N4S — CID 83185445

IUPACN-cyclopropyl-4-methyl-5-(methylaminomethyl)-N-(thiophen-3-ylmethyl)pyrimidin-2-amine
SMILESCNCc1cnc(N(Cc2ccsc2)C2CC2)nc1C
InChIInChI=1S/C15H20N4S/c1-11-13(7-16-2)8-17-15(18-11)19(14-3-4-14)9-12-5-6-20-10-12/h5-6,8,10,14,16H,3-4,7,9H2,1-2H3
InChIKeyYVMZBWVPKDGAKO-UHFFFAOYSA-N
MW288.42 g/mol
LogP2.73
Rot. Bonds6

About N-cyclopropyl-4-methyl-5-(methylaminomethyl)-N-(thiophen-3-ylmethyl)pyrimidin-2-amine

N-cyclopropyl-4-methyl-5-(methylaminomethyl)-N-(thiophen-3-ylmethyl)pyrimidin-2-amine (PubChem CID 83185445) has the molecular formula C15H20N4S and a molecular weight of 288.42 g/mol. Its IUPAC name is N-cyclopropyl-4-methyl-5-(methylaminomethyl)-N-(thiophen-3-ylmethyl)pyrimidin-2-amine.

Molecular Properties

Compound NameN-cyclopropyl-4-methyl-5-(methylaminomethyl)-N-(thiophen-3-ylmethyl)pyrimidin-2-amine
PubChem CID83185445
Molecular FormulaC15H20N4S
Molecular Weight288.42 g/mol
Exact Mass288.14
IUPAC NameN-cyclopropyl-4-methyl-5-(methylaminomethyl)-N-(thiophen-3-ylmethyl)pyrimidin-2-amine
SMILESCNCc1cnc(N(Cc2ccsc2)C2CC2)nc1C
InChIInChI=1S/C15H20N4S/c1-11-13(7-16-2)8-17-15(18-11)19(14-3-4-14)9-12-5-6-20-10-12/h5-6,8,10,14,16H,3-4,7,9H2,1-2H3
InChIKeyYVMZBWVPKDGAKO-UHFFFAOYSA-N
XLogP2.73
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.42
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-methyl-5-(methylaminomethyl)-N-(thiophen-3-ylmethyl)pyrimidin-2-amine?
The IUPAC name of N-cyclopropyl-4-methyl-5-(methylaminomethyl)-N-(thiophen-3-ylmethyl)pyrimidin-2-amine (CID 83185445) is N-cyclopropyl-4-methyl-5-(methylaminomethyl)-N-(thiophen-3-ylmethyl)pyrimidin-2-amine.
What is the SMILES notation for N-cyclopropyl-4-methyl-5-(methylaminomethyl)-N-(thiophen-3-ylmethyl)pyrimidin-2-amine?
The canonical SMILES for N-cyclopropyl-4-methyl-5-(methylaminomethyl)-N-(thiophen-3-ylmethyl)pyrimidin-2-amine is CNCc1cnc(N(Cc2ccsc2)C2CC2)nc1C.
What is the InChIKey of N-cyclopropyl-4-methyl-5-(methylaminomethyl)-N-(thiophen-3-ylmethyl)pyrimidin-2-amine?
The InChIKey is YVMZBWVPKDGAKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4S/c1-11-13(7-16-2)8-17-15(18-11)19(14-3-4-14)9-12-5-6-20-10-12/h5-6,8,10,14,16H,3-4,7,9H2,1-2H3.
What are the key properties of N-cyclopropyl-4-methyl-5-(methylaminomethyl)-N-(thiophen-3-ylmethyl)pyrimidin-2-amine?
N-cyclopropyl-4-methyl-5-(methylaminomethyl)-N-(thiophen-3-ylmethyl)pyrimidin-2-amine has a molecular weight of 288.42 g/mol, XLogP of 2.73, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-methyl-5-(methylaminomethyl)-N-(thiophen-3-ylmethyl)pyrimidin-2-amine is sourced from PubChem (CID 83185445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).