N-benzyl-5-[[methyl-[(1,3,5-trimethylpyrazol-4-yl)methyl]amino]methyl]pyrimidin-2-amine

C20H26N6 — CID 77089227

IUPACN-benzyl-5-[[methyl-[(1,3,5-trimethylpyrazol-4-yl)methyl]amino]methyl]pyrimidin-2-amine
SMILESCc1nn(C)c(C)c1CN(C)Cc1cnc(NCc2ccccc2)nc1
InChIInChI=1S/C20H26N6/c1-15-19(16(2)26(4)24-15)14-25(3)13-18-11-22-20(23-12-18)21-10-17-8-6-5-7-9-17/h5-9,11-12H,10,13-14H2,1-4H3,(H,21,22,23)
InChIKeyOIAIZDJXIDUBME-UHFFFAOYSA-N
MW350.47 g/mol
LogP3.07
Rot. Bonds7

About N-benzyl-5-[[methyl-[(1,3,5-trimethylpyrazol-4-yl)methyl]amino]methyl]pyrimidin-2-amine

N-benzyl-5-[[methyl-[(1,3,5-trimethylpyrazol-4-yl)methyl]amino]methyl]pyrimidin-2-amine (PubChem CID 77089227) has the molecular formula C20H26N6 and a molecular weight of 350.47 g/mol. Its IUPAC name is N-benzyl-5-[[methyl-[(1,3,5-trimethylpyrazol-4-yl)methyl]amino]methyl]pyrimidin-2-amine.

Molecular Properties

Compound NameN-benzyl-5-[[methyl-[(1,3,5-trimethylpyrazol-4-yl)methyl]amino]methyl]pyrimidin-2-amine
PubChem CID77089227
Molecular FormulaC20H26N6
Molecular Weight350.47 g/mol
Exact Mass350.22
IUPAC NameN-benzyl-5-[[methyl-[(1,3,5-trimethylpyrazol-4-yl)methyl]amino]methyl]pyrimidin-2-amine
SMILESCc1nn(C)c(C)c1CN(C)Cc1cnc(NCc2ccccc2)nc1
InChIInChI=1S/C20H26N6/c1-15-19(16(2)26(4)24-15)14-25(3)13-18-11-22-20(23-12-18)21-10-17-8-6-5-7-9-17/h5-9,11-12H,10,13-14H2,1-4H3,(H,21,22,23)
InChIKeyOIAIZDJXIDUBME-UHFFFAOYSA-N
XLogP3.07
TPSA58.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.47
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-benzyl-5-[[methyl-[(1S)-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]amino]methyl]pyrimidin-2-amine
CID 99955181
N-benzyl-5-[[(4-ethyl-1,2,4-triazol-3-yl)methyl-methylamino]methyl]pyrimidin-2-amine
CID 131932037
N-benzyl-5-[[methyl-[2-(1-methylpyrazol-4-yl)ethyl]amino]methyl]pyrimidin-2-amine
CID 77091082
2-[methyl-[(1,3,5-trimethylpyrazol-4-yl)methyl]amino]-N-(2-phenylethyl)acetamide
CID 22196628
5-chloro-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrimidin-2-amine
CID 79556372
1-(2-chloro-4-fluorophenyl)-N-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]methanamine
CID 22196500
2-N,2-N-dimethyl-5-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyridine-2,5-diamine
CID 43690392
N'-methyl-N'-[(1,3,5-trimethylpyrazol-4-yl)methyl]ethane-1,2-diamine
CID 62682565
N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]aniline
CID 63104702
2-N-(3-methylphenyl)-6-[[methyl-[(1,3,5-trimethylpyrazol-4-yl)methyl]amino]methyl]-1,3,5-triazine-2,4-diamine
CID 134708244
2-(ethylamino)-N-propan-2-yl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrimidine-5-carboxamide
CID 46983799
N',2,2-trimethyl-N'-[(1,3,5-trimethylpyrazol-4-yl)methyl]propane-1,3-diamine
CID 79645097

Frequently Asked Questions

What is the IUPAC name of N-benzyl-5-[[methyl-[(1,3,5-trimethylpyrazol-4-yl)methyl]amino]methyl]pyrimidin-2-amine?
The IUPAC name of N-benzyl-5-[[methyl-[(1,3,5-trimethylpyrazol-4-yl)methyl]amino]methyl]pyrimidin-2-amine (CID 77089227) is N-benzyl-5-[[methyl-[(1,3,5-trimethylpyrazol-4-yl)methyl]amino]methyl]pyrimidin-2-amine.
What is the SMILES notation for N-benzyl-5-[[methyl-[(1,3,5-trimethylpyrazol-4-yl)methyl]amino]methyl]pyrimidin-2-amine?
The canonical SMILES for N-benzyl-5-[[methyl-[(1,3,5-trimethylpyrazol-4-yl)methyl]amino]methyl]pyrimidin-2-amine is Cc1nn(C)c(C)c1CN(C)Cc1cnc(NCc2ccccc2)nc1.
What is the InChIKey of N-benzyl-5-[[methyl-[(1,3,5-trimethylpyrazol-4-yl)methyl]amino]methyl]pyrimidin-2-amine?
The InChIKey is OIAIZDJXIDUBME-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N6/c1-15-19(16(2)26(4)24-15)14-25(3)13-18-11-22-20(23-12-18)21-10-17-8-6-5-7-9-17/h5-9,11-12H,10,13-14H2,1-4H3,(H,21,22,23).
What are the key properties of N-benzyl-5-[[methyl-[(1,3,5-trimethylpyrazol-4-yl)methyl]amino]methyl]pyrimidin-2-amine?
N-benzyl-5-[[methyl-[(1,3,5-trimethylpyrazol-4-yl)methyl]amino]methyl]pyrimidin-2-amine has a molecular weight of 350.47 g/mol, XLogP of 3.07, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-5-[[methyl-[(1,3,5-trimethylpyrazol-4-yl)methyl]amino]methyl]pyrimidin-2-amine is sourced from PubChem (CID 77089227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).