6-(aminomethyl)-N-methyl-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]pyrimidin-4-amine

C18H25N5 — CID 56719856

IUPAC6-(aminomethyl)-N-methyl-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]pyrimidin-4-amine
SMILESCN(Cc1ccccc1CN1CCCC1)c1cc(CN)ncn1
InChIInChI=1S/C18H25N5/c1-22(18-10-17(11-19)20-14-21-18)12-15-6-2-3-7-16(15)13-23-8-4-5-9-23/h2-3,6-7,10,14H,4-5,8-9,11-13,19H2,1H3
InChIKeyVBGMXXFYQYNYQS-UHFFFAOYSA-N
MW311.43 g/mol
LogP2.17
Rot. Bonds6

About 6-(aminomethyl)-N-methyl-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]pyrimidin-4-amine

6-(aminomethyl)-N-methyl-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]pyrimidin-4-amine (PubChem CID 56719856) has the molecular formula C18H25N5 and a molecular weight of 311.43 g/mol. Its IUPAC name is 6-(aminomethyl)-N-methyl-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-(aminomethyl)-N-methyl-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]pyrimidin-4-amine
PubChem CID56719856
Molecular FormulaC18H25N5
Molecular Weight311.43 g/mol
Exact Mass311.21
IUPAC Name6-(aminomethyl)-N-methyl-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]pyrimidin-4-amine
SMILESCN(Cc1ccccc1CN1CCCC1)c1cc(CN)ncn1
InChIInChI=1S/C18H25N5/c1-22(18-10-17(11-19)20-14-21-18)12-15-6-2-3-7-16(15)13-23-8-4-5-9-23/h2-3,6-7,10,14H,4-5,8-9,11-13,19H2,1H3
InChIKeyVBGMXXFYQYNYQS-UHFFFAOYSA-N
XLogP2.17
TPSA58.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-methyl-2-[methyl-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]amino]pyrimidin-5-yl]ethanone
CID 135113871
4-N-[(2-chlorophenyl)methyl]-4-N-methylpyrimidine-4,6-diamine
CID 78929716
1-(2-ethylpyrimidin-4-yl)-N-methyl-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]methanamine
CID 77090196
4-(aminomethyl)-5-chloro-N-[(2-chlorophenyl)methyl]-N-methylpyridin-2-amine
CID 114926248
N-[[2-(aminomethyl)phenyl]methyl]-N-methylpyridin-2-amine
CID 60921940
2-(aminomethyl)-N-methyl-N-(2-pyrrolidin-1-ylethyl)pyridin-4-amine
CID 63206971
2-methyl-3-(pyrrolidin-1-ylmethyl)pyridine
CID 130158747
4-N-[(2-methoxyphenyl)methyl]-4-N-methylpyrimidine-4,6-diamine
CID 78929848
N-[(5-amino-2-chlorophenyl)methyl]-6-ethyl-N-methylpyrimidin-4-amine
CID 61240321
6-[4-[(2-bromophenyl)methyl]piperazin-1-yl]-N,N-dimethylpyrimidin-4-amine
CID 154883037
N-methyl-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 77078750
2-(aminomethyl)-N-[(2-chlorophenyl)methyl]-N-methylpyridin-4-amine
CID 62286232

Frequently Asked Questions

What is the IUPAC name of 6-(aminomethyl)-N-methyl-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]pyrimidin-4-amine?
The IUPAC name of 6-(aminomethyl)-N-methyl-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]pyrimidin-4-amine (CID 56719856) is 6-(aminomethyl)-N-methyl-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]pyrimidin-4-amine.
What is the SMILES notation for 6-(aminomethyl)-N-methyl-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]pyrimidin-4-amine?
The canonical SMILES for 6-(aminomethyl)-N-methyl-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]pyrimidin-4-amine is CN(Cc1ccccc1CN1CCCC1)c1cc(CN)ncn1.
What is the InChIKey of 6-(aminomethyl)-N-methyl-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]pyrimidin-4-amine?
The InChIKey is VBGMXXFYQYNYQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5/c1-22(18-10-17(11-19)20-14-21-18)12-15-6-2-3-7-16(15)13-23-8-4-5-9-23/h2-3,6-7,10,14H,4-5,8-9,11-13,19H2,1H3.
What are the key properties of 6-(aminomethyl)-N-methyl-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]pyrimidin-4-amine?
6-(aminomethyl)-N-methyl-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]pyrimidin-4-amine has a molecular weight of 311.43 g/mol, XLogP of 2.17, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(aminomethyl)-N-methyl-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]pyrimidin-4-amine is sourced from PubChem (CID 56719856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).