N-methyl-1-(3-propyl-1H-pyrazol-5-yl)-N-[(2-pyridin-2-ylpyrimidin-5-yl)methyl]methanamine

C18H22N6 — CID 77091777

IUPACN-methyl-1-(3-propyl-1H-pyrazol-5-yl)-N-[(2-pyridin-2-ylpyrimidin-5-yl)methyl]methanamine
SMILESCCCc1cc(CN(C)Cc2cnc(-c3ccccn3)nc2)[nH]n1
InChIInChI=1S/C18H22N6/c1-3-6-15-9-16(23-22-15)13-24(2)12-14-10-20-18(21-11-14)17-7-4-5-8-19-17/h4-5,7-11H,3,6,12-13H2,1-2H3,(H,22,23)
InChIKeyZFTPXZQQGKEMHY-UHFFFAOYSA-N
MW322.42 g/mol
LogP2.85
Rot. Bonds7

About N-methyl-1-(3-propyl-1H-pyrazol-5-yl)-N-[(2-pyridin-2-ylpyrimidin-5-yl)methyl]methanamine

N-methyl-1-(3-propyl-1H-pyrazol-5-yl)-N-[(2-pyridin-2-ylpyrimidin-5-yl)methyl]methanamine (PubChem CID 77091777) has the molecular formula C18H22N6 and a molecular weight of 322.42 g/mol. Its IUPAC name is N-methyl-1-(3-propyl-1H-pyrazol-5-yl)-N-[(2-pyridin-2-ylpyrimidin-5-yl)methyl]methanamine.

Molecular Properties

Compound NameN-methyl-1-(3-propyl-1H-pyrazol-5-yl)-N-[(2-pyridin-2-ylpyrimidin-5-yl)methyl]methanamine
PubChem CID77091777
Molecular FormulaC18H22N6
Molecular Weight322.42 g/mol
Exact Mass322.19
IUPAC NameN-methyl-1-(3-propyl-1H-pyrazol-5-yl)-N-[(2-pyridin-2-ylpyrimidin-5-yl)methyl]methanamine
SMILESCCCc1cc(CN(C)Cc2cnc(-c3ccccn3)nc2)[nH]n1
InChIInChI=1S/C18H22N6/c1-3-6-15-9-16(23-22-15)13-24(2)12-14-10-20-18(21-11-14)17-7-4-5-8-19-17/h4-5,7-11H,3,6,12-13H2,1-2H3,(H,22,23)
InChIKeyZFTPXZQQGKEMHY-UHFFFAOYSA-N
XLogP2.85
TPSA70.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.42
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-methyl-1-(3-propyl-1H-pyrazol-5-yl)-N-[(2-pyridin-2-ylpyrimidin-5-yl)methyl]methanamine with MolForge

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Related Compounds

N-methyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]-1-(3-propyl-1H-pyrazol-5-yl)methanamine
CID 50975125
N,N-dimethyl-5-[[methyl(pyridin-2-ylmethyl)amino]methyl]pyrimidin-2-amine
CID 75500442
5-[[methyl(2-pyridin-2-ylethyl)amino]methyl]-1H-pyrazol-3-amine
CID 117038825
(2R)-N,N-dimethyl-2-[methyl-[(2-pyridin-2-ylpyrimidin-5-yl)methyl]amino]propanamide
CID 95225152
(2S)-N,N-dimethyl-2-[methyl-[(2-pyridin-2-ylpyrimidin-5-yl)methyl]amino]propanamide
CID 95225151
N-methyl-1-(3-propyl-1H-pyrazol-5-yl)-N-[[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methyl]methanamine
CID 135100162
N,3,3-trimethyl-N-[(3-propyl-1H-pyrazol-5-yl)methyl]cyclopentan-1-amine
CID 146046168
N-methyl-1-(oxan-3-yl)-N-[(3-propyl-1H-pyrazol-5-yl)methyl]methanamine
CID 91842915
N-methyl-3-[3-(methylamino)pyrazin-2-yl]-N-[(3-propyl-1H-pyrazol-5-yl)methyl]benzamide
CID 122572204
N,6-dipropyl-2-pyridin-2-ylpyrimidin-4-amine
CID 62192681
5-[[(4-ethoxyphenyl)methyl-methylamino]methyl]-1H-pyrazol-3-amine
CID 117038750
3-propyl-5-pyridin-2-yl-1,2-oxazole
CID 89181281

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(3-propyl-1H-pyrazol-5-yl)-N-[(2-pyridin-2-ylpyrimidin-5-yl)methyl]methanamine?
The IUPAC name of N-methyl-1-(3-propyl-1H-pyrazol-5-yl)-N-[(2-pyridin-2-ylpyrimidin-5-yl)methyl]methanamine (CID 77091777) is N-methyl-1-(3-propyl-1H-pyrazol-5-yl)-N-[(2-pyridin-2-ylpyrimidin-5-yl)methyl]methanamine.
What is the SMILES notation for N-methyl-1-(3-propyl-1H-pyrazol-5-yl)-N-[(2-pyridin-2-ylpyrimidin-5-yl)methyl]methanamine?
The canonical SMILES for N-methyl-1-(3-propyl-1H-pyrazol-5-yl)-N-[(2-pyridin-2-ylpyrimidin-5-yl)methyl]methanamine is CCCc1cc(CN(C)Cc2cnc(-c3ccccn3)nc2)[nH]n1.
What is the InChIKey of N-methyl-1-(3-propyl-1H-pyrazol-5-yl)-N-[(2-pyridin-2-ylpyrimidin-5-yl)methyl]methanamine?
The InChIKey is ZFTPXZQQGKEMHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N6/c1-3-6-15-9-16(23-22-15)13-24(2)12-14-10-20-18(21-11-14)17-7-4-5-8-19-17/h4-5,7-11H,3,6,12-13H2,1-2H3,(H,22,23).
What are the key properties of N-methyl-1-(3-propyl-1H-pyrazol-5-yl)-N-[(2-pyridin-2-ylpyrimidin-5-yl)methyl]methanamine?
N-methyl-1-(3-propyl-1H-pyrazol-5-yl)-N-[(2-pyridin-2-ylpyrimidin-5-yl)methyl]methanamine has a molecular weight of 322.42 g/mol, XLogP of 2.85, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(3-propyl-1H-pyrazol-5-yl)-N-[(2-pyridin-2-ylpyrimidin-5-yl)methyl]methanamine is sourced from PubChem (CID 77091777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).