N-butyl-N,5-diethyl-6-methyl-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]pyrimidin-4-amine

C19H34N4O — CID 142595686

IUPACN-butyl-N,5-diethyl-6-methyl-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]pyrimidin-4-amine
SMILESCCCCN(CC)c1nc(OC[C@@H]2CCCN2C)nc(C)c1CC
InChIInChI=1S/C19H34N4O/c1-6-9-13-23(8-3)18-17(7-2)15(4)20-19(21-18)24-14-16-11-10-12-22(16)5/h16H,6-14H2,1-5H3/t16-/m0/s1
InChIKeyUEPKRMXOMPPNKO-INIZCTEOSA-N
MW334.51 g/mol
LogP3.45
Rot. Bonds9

About N-butyl-N,5-diethyl-6-methyl-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]pyrimidin-4-amine

N-butyl-N,5-diethyl-6-methyl-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]pyrimidin-4-amine (PubChem CID 142595686) has the molecular formula C19H34N4O and a molecular weight of 334.51 g/mol. Its IUPAC name is N-butyl-N,5-diethyl-6-methyl-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]pyrimidin-4-amine.

Molecular Properties

Compound NameN-butyl-N,5-diethyl-6-methyl-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]pyrimidin-4-amine
PubChem CID142595686
Molecular FormulaC19H34N4O
Molecular Weight334.51 g/mol
Exact Mass334.27
IUPAC NameN-butyl-N,5-diethyl-6-methyl-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]pyrimidin-4-amine
SMILESCCCCN(CC)c1nc(OC[C@@H]2CCCN2C)nc(C)c1CC
InChIInChI=1S/C19H34N4O/c1-6-9-13-23(8-3)18-17(7-2)15(4)20-19(21-18)24-14-16-11-10-12-22(16)5/h16H,6-14H2,1-5H3/t16-/m0/s1
InChIKeyUEPKRMXOMPPNKO-INIZCTEOSA-N
XLogP3.45
TPSA41.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.51
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N-butyl-N,5-diethyl-6-methyl-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]pyrimidin-4-amine with MolForge

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Related Compounds

1-[5-ethyl-6-methyl-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]pyrimidin-4-yl]azepane
CID 163223465
[4-methyl-2-[(1-methylpiperidin-2-yl)methoxy]pyrimidin-5-yl]methanol
CID 83184394
4-[5-formyl-6-methyl-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]pyrimidin-4-yl]piperazine-1-carboxylic acid
CID 175100532
3-[[(2R)-1-methylpyrrolidin-2-yl]methoxy]-5-pentylpyridine
CID 67615056
5-bromo-2-[(1-methylpiperidin-2-yl)methoxy]pyrimidine
CID 65469032
2-[[(2R)-1-methylpyrrolidin-2-yl]methoxy]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine
CID 154627855
N,N-diethyl-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]ethanamine
CID 121001602
2-[(1-methylpiperidin-2-yl)methoxy]pyrimidin-5-amine
CID 65472450
2-methyl-5-[[(2R)-1-methylpyrrolidin-2-yl]methoxy]pyridine
CID 54335638
[5-methyl-6-[(1-methylpiperidin-2-yl)methoxy]-2-propylpyrimidin-4-yl]hydrazine
CID 81000742
2-chloro-3-ethyl-5-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]pyridine
CID 54367867
1,3-dimethyl-5-[(1-methylpiperidin-2-yl)methoxy]pyrazole-4-carboxylic acid
CID 65467124

Frequently Asked Questions

What is the IUPAC name of N-butyl-N,5-diethyl-6-methyl-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]pyrimidin-4-amine?
The IUPAC name of N-butyl-N,5-diethyl-6-methyl-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]pyrimidin-4-amine (CID 142595686) is N-butyl-N,5-diethyl-6-methyl-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]pyrimidin-4-amine.
What is the SMILES notation for N-butyl-N,5-diethyl-6-methyl-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]pyrimidin-4-amine?
The canonical SMILES for N-butyl-N,5-diethyl-6-methyl-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]pyrimidin-4-amine is CCCCN(CC)c1nc(OC[C@@H]2CCCN2C)nc(C)c1CC.
What is the InChIKey of N-butyl-N,5-diethyl-6-methyl-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]pyrimidin-4-amine?
The InChIKey is UEPKRMXOMPPNKO-INIZCTEOSA-N. The full InChI is InChI=1S/C19H34N4O/c1-6-9-13-23(8-3)18-17(7-2)15(4)20-19(21-18)24-14-16-11-10-12-22(16)5/h16H,6-14H2,1-5H3/t16-/m0/s1.
What are the key properties of N-butyl-N,5-diethyl-6-methyl-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]pyrimidin-4-amine?
N-butyl-N,5-diethyl-6-methyl-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]pyrimidin-4-amine has a molecular weight of 334.51 g/mol, XLogP of 3.45, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N,5-diethyl-6-methyl-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]pyrimidin-4-amine is sourced from PubChem (CID 142595686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).