N-methyl-6-[2-[[(2-methyl-1,3-thiazol-5-yl)methylamino]methyl]pyrrolidin-1-yl]pyrimidin-4-amine

C15H22N6S — CID 71933043

IUPACN-methyl-6-[2-[[(2-methyl-1,3-thiazol-5-yl)methylamino]methyl]pyrrolidin-1-yl]pyrimidin-4-amine
SMILESCNc1cc(N2CCCC2CNCc2cnc(C)s2)ncn1
InChIInChI=1S/C15H22N6S/c1-11-18-9-13(22-11)8-17-7-12-4-3-5-21(12)15-6-14(16-2)19-10-20-15/h6,9-10,12,17H,3-5,7-8H2,1-2H3,(H,16,19,20)
InChIKeyQROFWRQFKJGIMZ-UHFFFAOYSA-N
MW318.45 g/mol
LogP2.04
Rot. Bonds6

About N-methyl-6-[2-[[(2-methyl-1,3-thiazol-5-yl)methylamino]methyl]pyrrolidin-1-yl]pyrimidin-4-amine

N-methyl-6-[2-[[(2-methyl-1,3-thiazol-5-yl)methylamino]methyl]pyrrolidin-1-yl]pyrimidin-4-amine (PubChem CID 71933043) has the molecular formula C15H22N6S and a molecular weight of 318.45 g/mol. Its IUPAC name is N-methyl-6-[2-[[(2-methyl-1,3-thiazol-5-yl)methylamino]methyl]pyrrolidin-1-yl]pyrimidin-4-amine.

Molecular Properties

Compound NameN-methyl-6-[2-[[(2-methyl-1,3-thiazol-5-yl)methylamino]methyl]pyrrolidin-1-yl]pyrimidin-4-amine
PubChem CID71933043
Molecular FormulaC15H22N6S
Molecular Weight318.45 g/mol
Exact Mass318.16
IUPAC NameN-methyl-6-[2-[[(2-methyl-1,3-thiazol-5-yl)methylamino]methyl]pyrrolidin-1-yl]pyrimidin-4-amine
SMILESCNc1cc(N2CCCC2CNCc2cnc(C)s2)ncn1
InChIInChI=1S/C15H22N6S/c1-11-18-9-13(22-11)8-17-7-12-4-3-5-21(12)15-6-14(16-2)19-10-20-15/h6,9-10,12,17H,3-5,7-8H2,1-2H3,(H,16,19,20)
InChIKeyQROFWRQFKJGIMZ-UHFFFAOYSA-N
XLogP2.04
TPSA65.97 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.45
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-methyl-6-[2-[[(2-methyl-1,3-thiazol-5-yl)methylamino]methyl]pyrrolidin-1-yl]pyrimidin-4-amine?
The IUPAC name of N-methyl-6-[2-[[(2-methyl-1,3-thiazol-5-yl)methylamino]methyl]pyrrolidin-1-yl]pyrimidin-4-amine (CID 71933043) is N-methyl-6-[2-[[(2-methyl-1,3-thiazol-5-yl)methylamino]methyl]pyrrolidin-1-yl]pyrimidin-4-amine.
What is the SMILES notation for N-methyl-6-[2-[[(2-methyl-1,3-thiazol-5-yl)methylamino]methyl]pyrrolidin-1-yl]pyrimidin-4-amine?
The canonical SMILES for N-methyl-6-[2-[[(2-methyl-1,3-thiazol-5-yl)methylamino]methyl]pyrrolidin-1-yl]pyrimidin-4-amine is CNc1cc(N2CCCC2CNCc2cnc(C)s2)ncn1.
What is the InChIKey of N-methyl-6-[2-[[(2-methyl-1,3-thiazol-5-yl)methylamino]methyl]pyrrolidin-1-yl]pyrimidin-4-amine?
The InChIKey is QROFWRQFKJGIMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N6S/c1-11-18-9-13(22-11)8-17-7-12-4-3-5-21(12)15-6-14(16-2)19-10-20-15/h6,9-10,12,17H,3-5,7-8H2,1-2H3,(H,16,19,20).
What are the key properties of N-methyl-6-[2-[[(2-methyl-1,3-thiazol-5-yl)methylamino]methyl]pyrrolidin-1-yl]pyrimidin-4-amine?
N-methyl-6-[2-[[(2-methyl-1,3-thiazol-5-yl)methylamino]methyl]pyrrolidin-1-yl]pyrimidin-4-amine has a molecular weight of 318.45 g/mol, XLogP of 2.04, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-6-[2-[[(2-methyl-1,3-thiazol-5-yl)methylamino]methyl]pyrrolidin-1-yl]pyrimidin-4-amine is sourced from PubChem (CID 71933043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).