N-[[(3S)-1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]-N-methyl-1-pyrimidin-2-ylpiperidin-4-amine

C18H31N5O — CID 97275895

IUPACN-[[(3S)-1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]-N-methyl-1-pyrimidin-2-ylpiperidin-4-amine
SMILESCOCCN1CC[C@H](CN(C)C2CCN(c3ncccn3)CC2)C1
InChIInChI=1S/C18H31N5O/c1-21(14-16-4-9-22(15-16)12-13-24-2)17-5-10-23(11-6-17)18-19-7-3-8-20-18/h3,7-8,16-17H,4-6,9-15H2,1-2H3/t16-/m1/s1
InChIKeyMNZJNNBJIPQRPR-MRXNPFEDSA-N
MW333.48 g/mol
LogP1.35
Rot. Bonds7

About N-[[(3S)-1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]-N-methyl-1-pyrimidin-2-ylpiperidin-4-amine

N-[[(3S)-1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]-N-methyl-1-pyrimidin-2-ylpiperidin-4-amine (PubChem CID 97275895) has the molecular formula C18H31N5O and a molecular weight of 333.48 g/mol. Its IUPAC name is N-[[(3S)-1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]-N-methyl-1-pyrimidin-2-ylpiperidin-4-amine.

Molecular Properties

Compound NameN-[[(3S)-1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]-N-methyl-1-pyrimidin-2-ylpiperidin-4-amine
PubChem CID97275895
Molecular FormulaC18H31N5O
Molecular Weight333.48 g/mol
Exact Mass333.25
IUPAC NameN-[[(3S)-1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]-N-methyl-1-pyrimidin-2-ylpiperidin-4-amine
SMILESCOCCN1CC[C@H](CN(C)C2CCN(c3ncccn3)CC2)C1
InChIInChI=1S/C18H31N5O/c1-21(14-16-4-9-22(15-16)12-13-24-2)17-5-10-23(11-6-17)18-19-7-3-8-20-18/h3,7-8,16-17H,4-6,9-15H2,1-2H3/t16-/m1/s1
InChIKeyMNZJNNBJIPQRPR-MRXNPFEDSA-N
XLogP1.35
TPSA44.73 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.48
LogP ≤ 51.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze N-[[(3S)-1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]-N-methyl-1-pyrimidin-2-ylpiperidin-4-amine with MolForge

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Related Compounds

1-[1-(2-methoxyethyl)pyrrolidin-3-yl]-N-methyl-N-[(2-methyl-3-pyridinyl)methyl]methanamine
CID 134696870
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CID 135104380
N-[[1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]-N,5-dimethyl-1,3,4-thiadiazol-2-amine
CID 131930333
2-[[1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]-1-methylimidazole
CID 110269241
5-fluoro-2-N-[[(3S)-1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]-2-N,4-N,4-N-trimethylpyrimidine-2,4-diamine
CID 97195093
2-[4-(3-methoxypropyl)piperazin-1-yl]pyrimidine
CID 171069544
1-(3-fluoro-2-pyridinyl)-4-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]piperazine
CID 50976058
2-[[1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]-5-methylpyridine
CID 110269242
N-[[1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]-N-methyl-1-(3-methylphenyl)methanesulfonamide
CID 131916150
3-methoxy-N-methyl-N-[(1-pyridin-2-ylpiperidin-4-yl)methyl]cyclobutan-1-amine
CID 171070329
2-[4-[(1-methylazetidin-3-yl)methyl]piperazin-1-yl]pyrimidine
CID 171069848
2-[[1-(2-methoxyethyl)pyrrolidin-3-yl]methyl-methylamino]-N-[(2-methylphenyl)methyl]acetamide
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Frequently Asked Questions

What is the IUPAC name of N-[[(3S)-1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]-N-methyl-1-pyrimidin-2-ylpiperidin-4-amine?
The IUPAC name of N-[[(3S)-1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]-N-methyl-1-pyrimidin-2-ylpiperidin-4-amine (CID 97275895) is N-[[(3S)-1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]-N-methyl-1-pyrimidin-2-ylpiperidin-4-amine.
What is the SMILES notation for N-[[(3S)-1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]-N-methyl-1-pyrimidin-2-ylpiperidin-4-amine?
The canonical SMILES for N-[[(3S)-1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]-N-methyl-1-pyrimidin-2-ylpiperidin-4-amine is COCCN1CC[C@H](CN(C)C2CCN(c3ncccn3)CC2)C1.
What is the InChIKey of N-[[(3S)-1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]-N-methyl-1-pyrimidin-2-ylpiperidin-4-amine?
The InChIKey is MNZJNNBJIPQRPR-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H31N5O/c1-21(14-16-4-9-22(15-16)12-13-24-2)17-5-10-23(11-6-17)18-19-7-3-8-20-18/h3,7-8,16-17H,4-6,9-15H2,1-2H3/t16-/m1/s1.
What are the key properties of N-[[(3S)-1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]-N-methyl-1-pyrimidin-2-ylpiperidin-4-amine?
N-[[(3S)-1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]-N-methyl-1-pyrimidin-2-ylpiperidin-4-amine has a molecular weight of 333.48 g/mol, XLogP of 1.35, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3S)-1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]-N-methyl-1-pyrimidin-2-ylpiperidin-4-amine is sourced from PubChem (CID 97275895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).