6-chloro-5-methyl-N-(2-methyl-3-pyrrolidin-1-ylpropyl)-2-propan-2-ylpyrimidin-4-amine

C16H27ClN4 — CID 80971664

IUPAC6-chloro-5-methyl-N-(2-methyl-3-pyrrolidin-1-ylpropyl)-2-propan-2-ylpyrimidin-4-amine
SMILESCc1c(Cl)nc(C(C)C)nc1NCC(C)CN1CCCC1
InChIInChI=1S/C16H27ClN4/c1-11(2)15-19-14(17)13(4)16(20-15)18-9-12(3)10-21-7-5-6-8-21/h11-12H,5-10H2,1-4H3,(H,18,19,20)
InChIKeyQAEWJGFENIEJMS-UHFFFAOYSA-N
MW310.87 g/mol
LogP3.71
Rot. Bonds6

About 6-chloro-5-methyl-N-(2-methyl-3-pyrrolidin-1-ylpropyl)-2-propan-2-ylpyrimidin-4-amine

6-chloro-5-methyl-N-(2-methyl-3-pyrrolidin-1-ylpropyl)-2-propan-2-ylpyrimidin-4-amine (PubChem CID 80971664) has the molecular formula C16H27ClN4 and a molecular weight of 310.87 g/mol. Its IUPAC name is 6-chloro-5-methyl-N-(2-methyl-3-pyrrolidin-1-ylpropyl)-2-propan-2-ylpyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-5-methyl-N-(2-methyl-3-pyrrolidin-1-ylpropyl)-2-propan-2-ylpyrimidin-4-amine
PubChem CID80971664
Molecular FormulaC16H27ClN4
Molecular Weight310.87 g/mol
Exact Mass310.19
IUPAC Name6-chloro-5-methyl-N-(2-methyl-3-pyrrolidin-1-ylpropyl)-2-propan-2-ylpyrimidin-4-amine
SMILESCc1c(Cl)nc(C(C)C)nc1NCC(C)CN1CCCC1
InChIInChI=1S/C16H27ClN4/c1-11(2)15-19-14(17)13(4)16(20-15)18-9-12(3)10-21-7-5-6-8-21/h11-12H,5-10H2,1-4H3,(H,18,19,20)
InChIKeyQAEWJGFENIEJMS-UHFFFAOYSA-N
XLogP3.71
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.87
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-5-methyl-N-(2-methyl-3-pyrrolidin-1-ylpropyl)-2-propan-2-ylpyrimidin-4-amine?
The IUPAC name of 6-chloro-5-methyl-N-(2-methyl-3-pyrrolidin-1-ylpropyl)-2-propan-2-ylpyrimidin-4-amine (CID 80971664) is 6-chloro-5-methyl-N-(2-methyl-3-pyrrolidin-1-ylpropyl)-2-propan-2-ylpyrimidin-4-amine.
What is the SMILES notation for 6-chloro-5-methyl-N-(2-methyl-3-pyrrolidin-1-ylpropyl)-2-propan-2-ylpyrimidin-4-amine?
The canonical SMILES for 6-chloro-5-methyl-N-(2-methyl-3-pyrrolidin-1-ylpropyl)-2-propan-2-ylpyrimidin-4-amine is Cc1c(Cl)nc(C(C)C)nc1NCC(C)CN1CCCC1.
What is the InChIKey of 6-chloro-5-methyl-N-(2-methyl-3-pyrrolidin-1-ylpropyl)-2-propan-2-ylpyrimidin-4-amine?
The InChIKey is QAEWJGFENIEJMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27ClN4/c1-11(2)15-19-14(17)13(4)16(20-15)18-9-12(3)10-21-7-5-6-8-21/h11-12H,5-10H2,1-4H3,(H,18,19,20).
What are the key properties of 6-chloro-5-methyl-N-(2-methyl-3-pyrrolidin-1-ylpropyl)-2-propan-2-ylpyrimidin-4-amine?
6-chloro-5-methyl-N-(2-methyl-3-pyrrolidin-1-ylpropyl)-2-propan-2-ylpyrimidin-4-amine has a molecular weight of 310.87 g/mol, XLogP of 3.71, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-5-methyl-N-(2-methyl-3-pyrrolidin-1-ylpropyl)-2-propan-2-ylpyrimidin-4-amine is sourced from PubChem (CID 80971664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).