N-methyl-6-[2-[(1H-pyrazol-5-ylmethylamino)methyl]pyrrolidin-1-yl]pyrimidin-4-amine

C14H21N7 — CID 119124046

IUPACN-methyl-6-[2-[(1H-pyrazol-5-ylmethylamino)methyl]pyrrolidin-1-yl]pyrimidin-4-amine
SMILESCNc1cc(N2CCCC2CNCc2ccn[nH]2)ncn1
InChIInChI=1S/C14H21N7/c1-15-13-7-14(18-10-17-13)21-6-2-3-12(21)9-16-8-11-4-5-19-20-11/h4-5,7,10,12,16H,2-3,6,8-9H2,1H3,(H,19,20)(H,15,17,18)
InChIKeyVXQRJTKTLLOEES-UHFFFAOYSA-N
MW287.37 g/mol
LogP1.00
Rot. Bonds6

About N-methyl-6-[2-[(1H-pyrazol-5-ylmethylamino)methyl]pyrrolidin-1-yl]pyrimidin-4-amine

N-methyl-6-[2-[(1H-pyrazol-5-ylmethylamino)methyl]pyrrolidin-1-yl]pyrimidin-4-amine (PubChem CID 119124046) has the molecular formula C14H21N7 and a molecular weight of 287.37 g/mol. Its IUPAC name is N-methyl-6-[2-[(1H-pyrazol-5-ylmethylamino)methyl]pyrrolidin-1-yl]pyrimidin-4-amine.

Molecular Properties

Compound NameN-methyl-6-[2-[(1H-pyrazol-5-ylmethylamino)methyl]pyrrolidin-1-yl]pyrimidin-4-amine
PubChem CID119124046
Molecular FormulaC14H21N7
Molecular Weight287.37 g/mol
Exact Mass287.19
IUPAC NameN-methyl-6-[2-[(1H-pyrazol-5-ylmethylamino)methyl]pyrrolidin-1-yl]pyrimidin-4-amine
SMILESCNc1cc(N2CCCC2CNCc2ccn[nH]2)ncn1
InChIInChI=1S/C14H21N7/c1-15-13-7-14(18-10-17-13)21-6-2-3-12(21)9-16-8-11-4-5-19-20-11/h4-5,7,10,12,16H,2-3,6,8-9H2,1H3,(H,19,20)(H,15,17,18)
InChIKeyVXQRJTKTLLOEES-UHFFFAOYSA-N
XLogP1.00
TPSA81.76 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.37
LogP ≤ 51.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-methyl-6-[2-[[(4-methylphenyl)methylamino]methyl]pyrrolidin-1-yl]pyrimidin-4-amine
CID 119127313
6-[2-[[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methylamino]methyl]pyrrolidin-1-yl]-N-methylpyrimidin-4-amine
CID 119127257
N-methyl-6-[(2R)-2-[[(5-pyridin-3-yl-1H-pyrazol-4-yl)methylamino]methyl]pyrrolidin-1-yl]pyrimidin-4-amine
CID 124554026
6-[(2S)-2-[[(3,4-dimethoxyphenyl)methylamino]methyl]pyrrolidin-1-yl]-N-methylpyrimidin-4-amine
CID 124554031
N-methyl-4-[[[1-[6-(methylamino)pyrimidin-4-yl]pyrrolidin-2-yl]methylamino]methyl]benzamide
CID 119126315
6-[2-[[(3-ethoxyphenyl)methylamino]methyl]pyrrolidin-1-yl]-N-methylpyrimidin-4-amine
CID 119127232
6-[(2R)-2-[[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]methyl]pyrrolidin-1-yl]-N-methylpyrimidin-4-amine
CID 95764401
6-[(2S)-2-[[(2,3-dimethoxyphenyl)methylamino]methyl]pyrrolidin-1-yl]-N-methylpyrimidin-4-amine
CID 124554025
[1-[6-(methylamino)pyrimidin-4-yl]pyrrolidin-2-yl]methanol
CID 80795011
N-methyl-6-[(2R)-2-[[(1-methylbenzimidazol-2-yl)methylamino]methyl]pyrrolidin-1-yl]pyrimidin-4-amine
CID 129377193
6-[2-[[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methylamino]methyl]pyrrolidin-1-yl]-N-methylpyrimidin-4-amine
CID 119127231
6-[2-[(cyclohex-3-en-1-ylmethylamino)methyl]pyrrolidin-1-yl]-N-methylpyrimidin-4-amine
CID 136517302

Frequently Asked Questions

What is the IUPAC name of N-methyl-6-[2-[(1H-pyrazol-5-ylmethylamino)methyl]pyrrolidin-1-yl]pyrimidin-4-amine?
The IUPAC name of N-methyl-6-[2-[(1H-pyrazol-5-ylmethylamino)methyl]pyrrolidin-1-yl]pyrimidin-4-amine (CID 119124046) is N-methyl-6-[2-[(1H-pyrazol-5-ylmethylamino)methyl]pyrrolidin-1-yl]pyrimidin-4-amine.
What is the SMILES notation for N-methyl-6-[2-[(1H-pyrazol-5-ylmethylamino)methyl]pyrrolidin-1-yl]pyrimidin-4-amine?
The canonical SMILES for N-methyl-6-[2-[(1H-pyrazol-5-ylmethylamino)methyl]pyrrolidin-1-yl]pyrimidin-4-amine is CNc1cc(N2CCCC2CNCc2ccn[nH]2)ncn1.
What is the InChIKey of N-methyl-6-[2-[(1H-pyrazol-5-ylmethylamino)methyl]pyrrolidin-1-yl]pyrimidin-4-amine?
The InChIKey is VXQRJTKTLLOEES-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N7/c1-15-13-7-14(18-10-17-13)21-6-2-3-12(21)9-16-8-11-4-5-19-20-11/h4-5,7,10,12,16H,2-3,6,8-9H2,1H3,(H,19,20)(H,15,17,18).
What are the key properties of N-methyl-6-[2-[(1H-pyrazol-5-ylmethylamino)methyl]pyrrolidin-1-yl]pyrimidin-4-amine?
N-methyl-6-[2-[(1H-pyrazol-5-ylmethylamino)methyl]pyrrolidin-1-yl]pyrimidin-4-amine has a molecular weight of 287.37 g/mol, XLogP of 1.00, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-6-[2-[(1H-pyrazol-5-ylmethylamino)methyl]pyrrolidin-1-yl]pyrimidin-4-amine is sourced from PubChem (CID 119124046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).