N-[1-[(3,5-dichloro-2-pyridinyl)methyl]pyrrolidin-3-yl]pyrimidin-2-amine

C14H15Cl2N5 — CID 136569824

IUPACN-[1-[(3,5-dichloro-2-pyridinyl)methyl]pyrrolidin-3-yl]pyrimidin-2-amine
SMILESClc1cnc(CN2CCC(Nc3ncccn3)C2)c(Cl)c1
InChIInChI=1S/C14H15Cl2N5/c15-10-6-12(16)13(19-7-10)9-21-5-2-11(8-21)20-14-17-3-1-4-18-14/h1,3-4,6-7,11H,2,5,8-9H2,(H,17,18,20)
InChIKeyNYFCGQFEDYESRC-UHFFFAOYSA-N
MW324.21 g/mol
LogP2.86
Rot. Bonds4

About N-[1-[(3,5-dichloro-2-pyridinyl)methyl]pyrrolidin-3-yl]pyrimidin-2-amine

N-[1-[(3,5-dichloro-2-pyridinyl)methyl]pyrrolidin-3-yl]pyrimidin-2-amine (PubChem CID 136569824) has the molecular formula C14H15Cl2N5 and a molecular weight of 324.21 g/mol. Its IUPAC name is N-[1-[(3,5-dichloro-2-pyridinyl)methyl]pyrrolidin-3-yl]pyrimidin-2-amine.

Molecular Properties

Compound NameN-[1-[(3,5-dichloro-2-pyridinyl)methyl]pyrrolidin-3-yl]pyrimidin-2-amine
PubChem CID136569824
Molecular FormulaC14H15Cl2N5
Molecular Weight324.21 g/mol
Exact Mass323.07
IUPAC NameN-[1-[(3,5-dichloro-2-pyridinyl)methyl]pyrrolidin-3-yl]pyrimidin-2-amine
SMILESClc1cnc(CN2CCC(Nc3ncccn3)C2)c(Cl)c1
InChIInChI=1S/C14H15Cl2N5/c15-10-6-12(16)13(19-7-10)9-21-5-2-11(8-21)20-14-17-3-1-4-18-14/h1,3-4,6-7,11H,2,5,8-9H2,(H,17,18,20)
InChIKeyNYFCGQFEDYESRC-UHFFFAOYSA-N
XLogP2.86
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.21
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-[(6-chloro-3-pyridinyl)methyl]pyrrolidin-3-yl]pyrimidin-2-amine
CID 172893095
N-(1-ethylpiperidin-4-yl)pyrimidin-2-amine
CID 60667166
N-[1-[(4-methylphenyl)methyl]piperidin-4-yl]pyrimidin-2-amine
CID 3059133
N-[1-[(2,6-dichlorophenyl)methyl]pyrrolidin-3-yl]-4-methylpyrimidin-2-amine
CID 172891915
N-[(3R)-1-benzylpyrrolidin-3-yl]-5-ethylpyrimidin-2-amine
CID 97203878
N-[1-(2-pyridin-3-ylethyl)pyrrolidin-3-yl]pyrimidin-2-amine
CID 172881578
2-[4-[(5-chloropyrimidin-2-yl)amino]piperidin-1-yl]acetonitrile
CID 79556884
5-chloro-N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]pyrimidin-2-amine
CID 122557818
5-methoxy-2-[[3-(pyrimidin-2-ylamino)pyrrolidin-1-yl]methyl]pyran-4-one
CID 172892753
1-benzyl-N-(2,6-dichlorophenyl)pyrrolidin-3-amine
CID 65469717
3-[1-[(3,5-dichloro-2-pyridinyl)methyl]piperidin-3-yl]propanoic acid
CID 122100925
N-(1-methylpyrrolidin-3-yl)pyrimidin-2-amine
CID 61464985

Frequently Asked Questions

What is the IUPAC name of N-[1-[(3,5-dichloro-2-pyridinyl)methyl]pyrrolidin-3-yl]pyrimidin-2-amine?
The IUPAC name of N-[1-[(3,5-dichloro-2-pyridinyl)methyl]pyrrolidin-3-yl]pyrimidin-2-amine (CID 136569824) is N-[1-[(3,5-dichloro-2-pyridinyl)methyl]pyrrolidin-3-yl]pyrimidin-2-amine.
What is the SMILES notation for N-[1-[(3,5-dichloro-2-pyridinyl)methyl]pyrrolidin-3-yl]pyrimidin-2-amine?
The canonical SMILES for N-[1-[(3,5-dichloro-2-pyridinyl)methyl]pyrrolidin-3-yl]pyrimidin-2-amine is Clc1cnc(CN2CCC(Nc3ncccn3)C2)c(Cl)c1.
What is the InChIKey of N-[1-[(3,5-dichloro-2-pyridinyl)methyl]pyrrolidin-3-yl]pyrimidin-2-amine?
The InChIKey is NYFCGQFEDYESRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15Cl2N5/c15-10-6-12(16)13(19-7-10)9-21-5-2-11(8-21)20-14-17-3-1-4-18-14/h1,3-4,6-7,11H,2,5,8-9H2,(H,17,18,20).
What are the key properties of N-[1-[(3,5-dichloro-2-pyridinyl)methyl]pyrrolidin-3-yl]pyrimidin-2-amine?
N-[1-[(3,5-dichloro-2-pyridinyl)methyl]pyrrolidin-3-yl]pyrimidin-2-amine has a molecular weight of 324.21 g/mol, XLogP of 2.86, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(3,5-dichloro-2-pyridinyl)methyl]pyrrolidin-3-yl]pyrimidin-2-amine is sourced from PubChem (CID 136569824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).