N,N,5,6-tetramethyl-2-(3-pyrrolidin-1-ylpropoxy)pyrimidin-4-amine

C15H26N4O — CID 91509680

IUPACN,N,5,6-tetramethyl-2-(3-pyrrolidin-1-ylpropoxy)pyrimidin-4-amine
SMILESCc1nc(OCCCN2CCCC2)nc(N(C)C)c1C
InChIInChI=1S/C15H26N4O/c1-12-13(2)16-15(17-14(12)18(3)4)20-11-7-10-19-8-5-6-9-19/h5-11H2,1-4H3
InChIKeyRHZKGBQJXRMGGK-UHFFFAOYSA-N
MW278.40 g/mol
LogP2.02
Rot. Bonds6

About N,N,5,6-tetramethyl-2-(3-pyrrolidin-1-ylpropoxy)pyrimidin-4-amine

N,N,5,6-tetramethyl-2-(3-pyrrolidin-1-ylpropoxy)pyrimidin-4-amine (PubChem CID 91509680) has the molecular formula C15H26N4O and a molecular weight of 278.40 g/mol. Its IUPAC name is N,N,5,6-tetramethyl-2-(3-pyrrolidin-1-ylpropoxy)pyrimidin-4-amine.

Molecular Properties

Compound NameN,N,5,6-tetramethyl-2-(3-pyrrolidin-1-ylpropoxy)pyrimidin-4-amine
PubChem CID91509680
Molecular FormulaC15H26N4O
Molecular Weight278.40 g/mol
Exact Mass278.21
IUPAC NameN,N,5,6-tetramethyl-2-(3-pyrrolidin-1-ylpropoxy)pyrimidin-4-amine
SMILESCc1nc(OCCCN2CCCC2)nc(N(C)C)c1C
InChIInChI=1S/C15H26N4O/c1-12-13(2)16-15(17-14(12)18(3)4)20-11-7-10-19-8-5-6-9-19/h5-11H2,1-4H3
InChIKeyRHZKGBQJXRMGGK-UHFFFAOYSA-N
XLogP2.02
TPSA41.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4,5-dimethyl-6-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyrimidin-2-amine
CID 24994950
4,5-dimethyl-6-[(3S)-3-(methylamino)pyrrolidin-1-yl]pyrimidin-2-amine
CID 127050018
Pyrimidine, 2-amino-4-(gamma-diethylaminopropylamino)-5,6-dimethyl-
CID 114146
7-(2,5,6-Trimethylpyrimidin-4-yl)-2-oxa-7-azaspiro[4.4]nonane
CID 71969218
(3S,4S)-1-[2-(dimethylamino)-5,6-dimethylpyrimidin-4-yl]-4-(4-methylpiperazin-1-yl)pyrrolidin-3-ol
CID 50961476
N~4~-{[1-(3-methoxypropyl)pyrrolidin-3-yl]methyl}-6-methylpyrimidine-2,4-diamine
CID 72858382
4-[(5R)-9-(2-methoxyethyl)-2,9-diazaspiro[4.5]decan-2-yl]-N,N,5,6-tetramethylpyrimidin-2-amine
CID 95717606
2,5,6-trimethyl-N-(2-methyl-2-pyrrolidin-1-ylpropyl)pyrimidin-4-amine
CID 129615886
[(3R,4R)-4-(hydroxymethyl)-1-(2,5,6-trimethylpyrimidin-4-yl)pyrrolidin-3-yl]methanol
CID 164631085
2,4,5-Trimethyl-6-[4-(trifluoromethoxy)piperidin-1-yl]pyrimidine
CID 168905328
4-(3-Fluoropyrrolidin-1-yl)-5,6-dimethylpyrimidine
CID 171701613
4-[3-Fluoro-3-(methoxymethyl)pyrrolidin-1-yl]-5,6-dimethylpyrimidine
CID 171992582

Frequently Asked Questions

What is the IUPAC name of N,N,5,6-tetramethyl-2-(3-pyrrolidin-1-ylpropoxy)pyrimidin-4-amine?
The IUPAC name of N,N,5,6-tetramethyl-2-(3-pyrrolidin-1-ylpropoxy)pyrimidin-4-amine (CID 91509680) is N,N,5,6-tetramethyl-2-(3-pyrrolidin-1-ylpropoxy)pyrimidin-4-amine.
What is the SMILES notation for N,N,5,6-tetramethyl-2-(3-pyrrolidin-1-ylpropoxy)pyrimidin-4-amine?
The canonical SMILES for N,N,5,6-tetramethyl-2-(3-pyrrolidin-1-ylpropoxy)pyrimidin-4-amine is Cc1nc(OCCCN2CCCC2)nc(N(C)C)c1C.
What is the InChIKey of N,N,5,6-tetramethyl-2-(3-pyrrolidin-1-ylpropoxy)pyrimidin-4-amine?
The InChIKey is RHZKGBQJXRMGGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O/c1-12-13(2)16-15(17-14(12)18(3)4)20-11-7-10-19-8-5-6-9-19/h5-11H2,1-4H3.
What are the key properties of N,N,5,6-tetramethyl-2-(3-pyrrolidin-1-ylpropoxy)pyrimidin-4-amine?
N,N,5,6-tetramethyl-2-(3-pyrrolidin-1-ylpropoxy)pyrimidin-4-amine has a molecular weight of 278.40 g/mol, XLogP of 2.02, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,5,6-tetramethyl-2-(3-pyrrolidin-1-ylpropoxy)pyrimidin-4-amine is sourced from PubChem (CID 91509680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).