5-[2-[(dimethylamino)methyl]phenyl]-N-(pyridin-3-ylmethyl)pyrimidin-4-amine

C19H21N5 — CID 3233077

IUPAC5-[2-[(dimethylamino)methyl]phenyl]-N-(pyridin-3-ylmethyl)pyrimidin-4-amine
SMILESCN(C)Cc1ccccc1-c1cncnc1NCc1cccnc1
InChIInChI=1S/C19H21N5/c1-24(2)13-16-7-3-4-8-17(16)18-12-21-14-23-19(18)22-11-15-6-5-9-20-10-15/h3-10,12,14H,11,13H2,1-2H3,(H,21,22,23)
InChIKeySHWUIOOOUJKGPN-UHFFFAOYSA-N
MW319.41 g/mol
LogP3.21
Rot. Bonds6

About 5-[2-[(dimethylamino)methyl]phenyl]-N-(pyridin-3-ylmethyl)pyrimidin-4-amine

5-[2-[(dimethylamino)methyl]phenyl]-N-(pyridin-3-ylmethyl)pyrimidin-4-amine (PubChem CID 3233077) has the molecular formula C19H21N5 and a molecular weight of 319.41 g/mol. Its IUPAC name is 5-[2-[(dimethylamino)methyl]phenyl]-N-(pyridin-3-ylmethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name5-[2-[(dimethylamino)methyl]phenyl]-N-(pyridin-3-ylmethyl)pyrimidin-4-amine
PubChem CID3233077
Molecular FormulaC19H21N5
Molecular Weight319.41 g/mol
Exact Mass319.18
IUPAC Name5-[2-[(dimethylamino)methyl]phenyl]-N-(pyridin-3-ylmethyl)pyrimidin-4-amine
SMILESCN(C)Cc1ccccc1-c1cncnc1NCc1cccnc1
InChIInChI=1S/C19H21N5/c1-24(2)13-16-7-3-4-8-17(16)18-12-21-14-23-19(18)22-11-15-6-5-9-20-10-15/h3-10,12,14H,11,13H2,1-2H3,(H,21,22,23)
InChIKeySHWUIOOOUJKGPN-UHFFFAOYSA-N
XLogP3.21
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Mirtazapine
CID 4205
Amprolium Hydrochloride
CID 8732
Azd-3839
CID 46202416
2-(Benzylamino)pyridine
CID 23362
Amprolium
CID 73341
Msx-122
CID 11687907
ML323
CID 60167849
WZ 811
CID 11565518
5-Phenyl-2,4-pyrimidinediamine
CID 134761
2-Pyridinamine, 4-methyl-N-(phenylmethyl)-
CID 83053
Fanotaprim
CID 134812633
Amprolium ion
CID 2178

Frequently Asked Questions

What is the IUPAC name of 5-[2-[(dimethylamino)methyl]phenyl]-N-(pyridin-3-ylmethyl)pyrimidin-4-amine?
The IUPAC name of 5-[2-[(dimethylamino)methyl]phenyl]-N-(pyridin-3-ylmethyl)pyrimidin-4-amine (CID 3233077) is 5-[2-[(dimethylamino)methyl]phenyl]-N-(pyridin-3-ylmethyl)pyrimidin-4-amine.
What is the SMILES notation for 5-[2-[(dimethylamino)methyl]phenyl]-N-(pyridin-3-ylmethyl)pyrimidin-4-amine?
The canonical SMILES for 5-[2-[(dimethylamino)methyl]phenyl]-N-(pyridin-3-ylmethyl)pyrimidin-4-amine is CN(C)Cc1ccccc1-c1cncnc1NCc1cccnc1.
What is the InChIKey of 5-[2-[(dimethylamino)methyl]phenyl]-N-(pyridin-3-ylmethyl)pyrimidin-4-amine?
The InChIKey is SHWUIOOOUJKGPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5/c1-24(2)13-16-7-3-4-8-17(16)18-12-21-14-23-19(18)22-11-15-6-5-9-20-10-15/h3-10,12,14H,11,13H2,1-2H3,(H,21,22,23).
What are the key properties of 5-[2-[(dimethylamino)methyl]phenyl]-N-(pyridin-3-ylmethyl)pyrimidin-4-amine?
5-[2-[(dimethylamino)methyl]phenyl]-N-(pyridin-3-ylmethyl)pyrimidin-4-amine has a molecular weight of 319.41 g/mol, XLogP of 3.21, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[(dimethylamino)methyl]phenyl]-N-(pyridin-3-ylmethyl)pyrimidin-4-amine is sourced from PubChem (CID 3233077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).