4-methyl-N-(2-methyl-3-pyrrolidin-1-ylpropyl)-6-propoxypyrimidin-2-amine

C16H28N4O — CID 115975019

IUPAC4-methyl-N-(2-methyl-3-pyrrolidin-1-ylpropyl)-6-propoxypyrimidin-2-amine
SMILESCCCOc1cc(C)nc(NCC(C)CN2CCCC2)n1
InChIInChI=1S/C16H28N4O/c1-4-9-21-15-10-14(3)18-16(19-15)17-11-13(2)12-20-7-5-6-8-20/h10,13H,4-9,11-12H2,1-3H3,(H,17,18,19)
InChIKeyRUDGRJGKSLQBKU-UHFFFAOYSA-N
MW292.43 g/mol
LogP2.72
Rot. Bonds8

About 4-methyl-N-(2-methyl-3-pyrrolidin-1-ylpropyl)-6-propoxypyrimidin-2-amine

4-methyl-N-(2-methyl-3-pyrrolidin-1-ylpropyl)-6-propoxypyrimidin-2-amine (PubChem CID 115975019) has the molecular formula C16H28N4O and a molecular weight of 292.43 g/mol. Its IUPAC name is 4-methyl-N-(2-methyl-3-pyrrolidin-1-ylpropyl)-6-propoxypyrimidin-2-amine.

Molecular Properties

Compound Name4-methyl-N-(2-methyl-3-pyrrolidin-1-ylpropyl)-6-propoxypyrimidin-2-amine
PubChem CID115975019
Molecular FormulaC16H28N4O
Molecular Weight292.43 g/mol
Exact Mass292.23
IUPAC Name4-methyl-N-(2-methyl-3-pyrrolidin-1-ylpropyl)-6-propoxypyrimidin-2-amine
SMILESCCCOc1cc(C)nc(NCC(C)CN2CCCC2)n1
InChIInChI=1S/C16H28N4O/c1-4-9-21-15-10-14(3)18-16(19-15)17-11-13(2)12-20-7-5-6-8-20/h10,13H,4-9,11-12H2,1-3H3,(H,17,18,19)
InChIKeyRUDGRJGKSLQBKU-UHFFFAOYSA-N
XLogP2.72
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.43
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-methyl-3-pyrrolidin-1-ylpropyl)-4-propoxypyrimidin-2-amine
CID 115975017
4-methyl-6-propoxy-N-(3-pyrrolidin-1-ylpropyl)pyrimidin-2-amine
CID 115975022
4-methyl-N-propan-2-yl-6-propoxypyrimidin-2-amine
CID 112636364
4-ethoxy-N-(2-methyl-3-pyrrolidin-1-ylpropyl)pyrimidin-2-amine
CID 112637597
4-methyl-N-[2-(4-methylpiperidin-1-yl)ethyl]-6-propoxypyrimidin-2-amine
CID 115974679
N,4-dimethyl-6-(2-pyrrolidin-1-ylethoxy)pyrimidin-2-amine
CID 80871543
4-methoxy-6-methyl-N-(1-piperidin-1-ylpropan-2-yl)pyrimidin-2-amine
CID 112691746
2-methyl-1-N-(4-methyl-6-propoxypyrimidin-2-yl)propane-1,2-diamine
CID 112635096
4-methyl-N-prop-2-enyl-6-propoxypyrimidin-2-amine
CID 112637443
N-hexyl-4-methyl-6-propoxypyrimidin-2-amine
CID 112637799
N-(4-ethoxy-6-methylpyrimidin-2-yl)-2-methylbutane-1,4-diamine
CID 112635894
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-4-methyl-6-propoxypyrimidin-2-amine
CID 106374140

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(2-methyl-3-pyrrolidin-1-ylpropyl)-6-propoxypyrimidin-2-amine?
The IUPAC name of 4-methyl-N-(2-methyl-3-pyrrolidin-1-ylpropyl)-6-propoxypyrimidin-2-amine (CID 115975019) is 4-methyl-N-(2-methyl-3-pyrrolidin-1-ylpropyl)-6-propoxypyrimidin-2-amine.
What is the SMILES notation for 4-methyl-N-(2-methyl-3-pyrrolidin-1-ylpropyl)-6-propoxypyrimidin-2-amine?
The canonical SMILES for 4-methyl-N-(2-methyl-3-pyrrolidin-1-ylpropyl)-6-propoxypyrimidin-2-amine is CCCOc1cc(C)nc(NCC(C)CN2CCCC2)n1.
What is the InChIKey of 4-methyl-N-(2-methyl-3-pyrrolidin-1-ylpropyl)-6-propoxypyrimidin-2-amine?
The InChIKey is RUDGRJGKSLQBKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4O/c1-4-9-21-15-10-14(3)18-16(19-15)17-11-13(2)12-20-7-5-6-8-20/h10,13H,4-9,11-12H2,1-3H3,(H,17,18,19).
What are the key properties of 4-methyl-N-(2-methyl-3-pyrrolidin-1-ylpropyl)-6-propoxypyrimidin-2-amine?
4-methyl-N-(2-methyl-3-pyrrolidin-1-ylpropyl)-6-propoxypyrimidin-2-amine has a molecular weight of 292.43 g/mol, XLogP of 2.72, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(2-methyl-3-pyrrolidin-1-ylpropyl)-6-propoxypyrimidin-2-amine is sourced from PubChem (CID 115975019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).