N-[[1-(5-chloropyrimidin-4-yl)pyrrolidin-2-yl]methyl]ethanamine

C11H17ClN4 — CID 105370506

IUPACN-[[1-(5-chloropyrimidin-4-yl)pyrrolidin-2-yl]methyl]ethanamine
SMILESCCNCC1CCCN1c1ncncc1Cl
InChIInChI=1S/C11H17ClN4/c1-2-13-6-9-4-3-5-16(9)11-10(12)7-14-8-15-11/h7-9,13H,2-6H2,1H3
InChIKeyMMSWZJCGISGZAX-UHFFFAOYSA-N
MW240.74 g/mol
LogP1.71
Rot. Bonds4

About N-[[1-(5-chloropyrimidin-4-yl)pyrrolidin-2-yl]methyl]ethanamine

N-[[1-(5-chloropyrimidin-4-yl)pyrrolidin-2-yl]methyl]ethanamine (PubChem CID 105370506) has the molecular formula C11H17ClN4 and a molecular weight of 240.74 g/mol. Its IUPAC name is N-[[1-(5-chloropyrimidin-4-yl)pyrrolidin-2-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[1-(5-chloropyrimidin-4-yl)pyrrolidin-2-yl]methyl]ethanamine
PubChem CID105370506
Molecular FormulaC11H17ClN4
Molecular Weight240.74 g/mol
Exact Mass240.11
IUPAC NameN-[[1-(5-chloropyrimidin-4-yl)pyrrolidin-2-yl]methyl]ethanamine
SMILESCCNCC1CCCN1c1ncncc1Cl
InChIInChI=1S/C11H17ClN4/c1-2-13-6-9-4-3-5-16(9)11-10(12)7-14-8-15-11/h7-9,13H,2-6H2,1H3
InChIKeyMMSWZJCGISGZAX-UHFFFAOYSA-N
XLogP1.71
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.74
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-2-yl]methyl]ethanamine
CID 62592867
N-[[1-(5-iodopyrimidin-4-yl)pyrrolidin-2-yl]methyl]-2-methylpropan-1-amine
CID 66319099
N-[[1-(5-bromopyrimidin-2-yl)pyrrolidin-2-yl]methyl]ethanamine
CID 63873612
N-[[1-(3-methyl-2-pyridinyl)pyrrolidin-2-yl]methyl]ethanamine
CID 62592710
5-bromo-4-[2-(ethylaminomethyl)pyrrolidin-1-yl]-1H-pyrimidin-6-one
CID 136989741
5-amino-4-[2-(ethylaminomethyl)pyrrolidin-1-yl]-1H-pyrimidin-6-one
CID 137007904
N-[(1-quinoxalin-2-ylpyrrolidin-2-yl)methyl]ethanamine
CID 55090959
1-[1-(6-chloro-5-propylpyrimidin-4-yl)pyrrolidin-2-yl]-N,N-dimethylmethanamine
CID 63730372
4-(2-ethylpiperidin-1-yl)pyrimidin-5-amine
CID 79915702
[1-(5-chloropyrimidin-4-yl)-4-methoxypiperidin-2-yl]methanamine
CID 105370102
N-[[1-(3-chloro-4-pyridinyl)pyrrolidin-2-yl]methyl]-2-methylpropan-1-amine
CID 79841622
N-[[1-(5-methyl-2-pyridinyl)piperidin-2-yl]methyl]ethanamine
CID 62593584

Frequently Asked Questions

What is the IUPAC name of N-[[1-(5-chloropyrimidin-4-yl)pyrrolidin-2-yl]methyl]ethanamine?
The IUPAC name of N-[[1-(5-chloropyrimidin-4-yl)pyrrolidin-2-yl]methyl]ethanamine (CID 105370506) is N-[[1-(5-chloropyrimidin-4-yl)pyrrolidin-2-yl]methyl]ethanamine.
What is the SMILES notation for N-[[1-(5-chloropyrimidin-4-yl)pyrrolidin-2-yl]methyl]ethanamine?
The canonical SMILES for N-[[1-(5-chloropyrimidin-4-yl)pyrrolidin-2-yl]methyl]ethanamine is CCNCC1CCCN1c1ncncc1Cl.
What is the InChIKey of N-[[1-(5-chloropyrimidin-4-yl)pyrrolidin-2-yl]methyl]ethanamine?
The InChIKey is MMSWZJCGISGZAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17ClN4/c1-2-13-6-9-4-3-5-16(9)11-10(12)7-14-8-15-11/h7-9,13H,2-6H2,1H3.
What are the key properties of N-[[1-(5-chloropyrimidin-4-yl)pyrrolidin-2-yl]methyl]ethanamine?
N-[[1-(5-chloropyrimidin-4-yl)pyrrolidin-2-yl]methyl]ethanamine has a molecular weight of 240.74 g/mol, XLogP of 1.71, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(5-chloropyrimidin-4-yl)pyrrolidin-2-yl]methyl]ethanamine is sourced from PubChem (CID 105370506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).