N-methyl-1-[(3R)-1-(6-methylpyrimidin-4-yl)pyrrolidin-3-yl]-N-(pyridin-3-ylmethyl)methanamine

C17H23N5 — CID 129336018

IUPACN-methyl-1-[(3R)-1-(6-methylpyrimidin-4-yl)pyrrolidin-3-yl]-N-(pyridin-3-ylmethyl)methanamine
SMILESCc1cc(N2CC[C@H](CN(C)Cc3cccnc3)C2)ncn1
InChIInChI=1S/C17H23N5/c1-14-8-17(20-13-19-14)22-7-5-16(12-22)11-21(2)10-15-4-3-6-18-9-15/h3-4,6,8-9,13,16H,5,7,10-12H2,1-2H3/t16-/m1/s1
InChIKeyJOYYUHZIVNTZPS-MRXNPFEDSA-N
MW297.41 g/mol
LogP2.14
Rot. Bonds5

About N-methyl-1-[(3R)-1-(6-methylpyrimidin-4-yl)pyrrolidin-3-yl]-N-(pyridin-3-ylmethyl)methanamine

N-methyl-1-[(3R)-1-(6-methylpyrimidin-4-yl)pyrrolidin-3-yl]-N-(pyridin-3-ylmethyl)methanamine (PubChem CID 129336018) has the molecular formula C17H23N5 and a molecular weight of 297.41 g/mol. Its IUPAC name is N-methyl-1-[(3R)-1-(6-methylpyrimidin-4-yl)pyrrolidin-3-yl]-N-(pyridin-3-ylmethyl)methanamine.

Molecular Properties

Compound NameN-methyl-1-[(3R)-1-(6-methylpyrimidin-4-yl)pyrrolidin-3-yl]-N-(pyridin-3-ylmethyl)methanamine
PubChem CID129336018
Molecular FormulaC17H23N5
Molecular Weight297.41 g/mol
Exact Mass297.20
IUPAC NameN-methyl-1-[(3R)-1-(6-methylpyrimidin-4-yl)pyrrolidin-3-yl]-N-(pyridin-3-ylmethyl)methanamine
SMILESCc1cc(N2CC[C@H](CN(C)Cc3cccnc3)C2)ncn1
InChIInChI=1S/C17H23N5/c1-14-8-17(20-13-19-14)22-7-5-16(12-22)11-21(2)10-15-4-3-6-18-9-15/h3-4,6,8-9,13,16H,5,7,10-12H2,1-2H3/t16-/m1/s1
InChIKeyJOYYUHZIVNTZPS-MRXNPFEDSA-N
XLogP2.14
TPSA45.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.41
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[(3R)-1-(6-methylpyrimidin-4-yl)pyrrolidin-3-yl]-N-(pyridin-3-ylmethyl)methanamine?
The IUPAC name of N-methyl-1-[(3R)-1-(6-methylpyrimidin-4-yl)pyrrolidin-3-yl]-N-(pyridin-3-ylmethyl)methanamine (CID 129336018) is N-methyl-1-[(3R)-1-(6-methylpyrimidin-4-yl)pyrrolidin-3-yl]-N-(pyridin-3-ylmethyl)methanamine.
What is the SMILES notation for N-methyl-1-[(3R)-1-(6-methylpyrimidin-4-yl)pyrrolidin-3-yl]-N-(pyridin-3-ylmethyl)methanamine?
The canonical SMILES for N-methyl-1-[(3R)-1-(6-methylpyrimidin-4-yl)pyrrolidin-3-yl]-N-(pyridin-3-ylmethyl)methanamine is Cc1cc(N2CC[C@H](CN(C)Cc3cccnc3)C2)ncn1.
What is the InChIKey of N-methyl-1-[(3R)-1-(6-methylpyrimidin-4-yl)pyrrolidin-3-yl]-N-(pyridin-3-ylmethyl)methanamine?
The InChIKey is JOYYUHZIVNTZPS-MRXNPFEDSA-N. The full InChI is InChI=1S/C17H23N5/c1-14-8-17(20-13-19-14)22-7-5-16(12-22)11-21(2)10-15-4-3-6-18-9-15/h3-4,6,8-9,13,16H,5,7,10-12H2,1-2H3/t16-/m1/s1.
What are the key properties of N-methyl-1-[(3R)-1-(6-methylpyrimidin-4-yl)pyrrolidin-3-yl]-N-(pyridin-3-ylmethyl)methanamine?
N-methyl-1-[(3R)-1-(6-methylpyrimidin-4-yl)pyrrolidin-3-yl]-N-(pyridin-3-ylmethyl)methanamine has a molecular weight of 297.41 g/mol, XLogP of 2.14, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[(3R)-1-(6-methylpyrimidin-4-yl)pyrrolidin-3-yl]-N-(pyridin-3-ylmethyl)methanamine is sourced from PubChem (CID 129336018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).