4-methyl-6-[4-[[(S)-phenyl(pyridin-4-yl)methyl]amino]piperidin-1-yl]pyrimidin-2-amine

C22H26N6 — CID 97187975

IUPAC4-methyl-6-[4-[[(S)-phenyl(pyridin-4-yl)methyl]amino]piperidin-1-yl]pyrimidin-2-amine
SMILESCc1cc(N2CCC(N[C@@H](c3ccccc3)c3ccncc3)CC2)nc(N)n1
InChIInChI=1S/C22H26N6/c1-16-15-20(27-22(23)25-16)28-13-9-19(10-14-28)26-21(17-5-3-2-4-6-17)18-7-11-24-12-8-18/h2-8,11-12,15,19,21,26H,9-10,13-14H2,1H3,(H2,23,25,27)/t21-/m0/s1
InChIKeyZNDSEDMEHADSSR-NRFANRHFSA-N
MW374.49 g/mol
LogP3.11
Rot. Bonds5

About 4-methyl-6-[4-[[(S)-phenyl(pyridin-4-yl)methyl]amino]piperidin-1-yl]pyrimidin-2-amine

4-methyl-6-[4-[[(S)-phenyl(pyridin-4-yl)methyl]amino]piperidin-1-yl]pyrimidin-2-amine (PubChem CID 97187975) has the molecular formula C22H26N6 and a molecular weight of 374.49 g/mol. Its IUPAC name is 4-methyl-6-[4-[[(S)-phenyl(pyridin-4-yl)methyl]amino]piperidin-1-yl]pyrimidin-2-amine.

Molecular Properties

Compound Name4-methyl-6-[4-[[(S)-phenyl(pyridin-4-yl)methyl]amino]piperidin-1-yl]pyrimidin-2-amine
PubChem CID97187975
Molecular FormulaC22H26N6
Molecular Weight374.49 g/mol
Exact Mass374.22
IUPAC Name4-methyl-6-[4-[[(S)-phenyl(pyridin-4-yl)methyl]amino]piperidin-1-yl]pyrimidin-2-amine
SMILESCc1cc(N2CCC(N[C@@H](c3ccccc3)c3ccncc3)CC2)nc(N)n1
InChIInChI=1S/C22H26N6/c1-16-15-20(27-22(23)25-16)28-13-9-19(10-14-28)26-21(17-5-3-2-4-6-17)18-7-11-24-12-8-18/h2-8,11-12,15,19,21,26H,9-10,13-14H2,1H3,(H2,23,25,27)/t21-/m0/s1
InChIKeyZNDSEDMEHADSSR-NRFANRHFSA-N
XLogP3.11
TPSA79.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.49
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-(2-amino-6-methylpyrimidin-4-yl)piperidin-4-ol
CID 112724371
[1-(2-amino-6-methylpyrimidin-4-yl)piperidin-4-yl]-dimethylazanium chloride
CID 139084866
4-methyl-6-[4-[[1-(phenoxymethyl)cyclopropyl]methylamino]piperidin-1-yl]pyrimidin-2-amine
CID 72845869
1-methyl-N-[phenyl(pyridin-4-yl)methyl]piperidin-3-amine
CID 61210102
N-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-1-(6-methyl-2-phenylpyrimidin-4-yl)piperidin-4-amine
CID 97438269
4-[(2S)-2-(2,2-diphenylethyl)morpholin-4-yl]-6-methylpyrimidin-2-amine
CID 95552034
4-[(2R)-2-(2,2-diphenylethyl)morpholin-4-yl]-6-methylpyrimidin-2-amine
CID 95552033
N-benzhydryl-1-methylpiperidin-4-amine;dihydrochloride
CID 134094585
4-methyl-6-[4-[(3-piperidin-1-ylphenyl)methylamino]piperidin-1-yl]pyrimidin-2-amine
CID 169075715
4-[4-[(3-methoxyphenyl)methylamino]piperidin-1-yl]-6-methylpyrimidin-2-amine
CID 169075730
4-(azocan-1-yl)-6-methylpyrimidin-2-amine
CID 11521403
4-methyl-6-(4-propylpiperidin-1-yl)pyrimidin-2-amine
CID 79478769

Frequently Asked Questions

What is the IUPAC name of 4-methyl-6-[4-[[(S)-phenyl(pyridin-4-yl)methyl]amino]piperidin-1-yl]pyrimidin-2-amine?
The IUPAC name of 4-methyl-6-[4-[[(S)-phenyl(pyridin-4-yl)methyl]amino]piperidin-1-yl]pyrimidin-2-amine (CID 97187975) is 4-methyl-6-[4-[[(S)-phenyl(pyridin-4-yl)methyl]amino]piperidin-1-yl]pyrimidin-2-amine.
What is the SMILES notation for 4-methyl-6-[4-[[(S)-phenyl(pyridin-4-yl)methyl]amino]piperidin-1-yl]pyrimidin-2-amine?
The canonical SMILES for 4-methyl-6-[4-[[(S)-phenyl(pyridin-4-yl)methyl]amino]piperidin-1-yl]pyrimidin-2-amine is Cc1cc(N2CCC(N[C@@H](c3ccccc3)c3ccncc3)CC2)nc(N)n1.
What is the InChIKey of 4-methyl-6-[4-[[(S)-phenyl(pyridin-4-yl)methyl]amino]piperidin-1-yl]pyrimidin-2-amine?
The InChIKey is ZNDSEDMEHADSSR-NRFANRHFSA-N. The full InChI is InChI=1S/C22H26N6/c1-16-15-20(27-22(23)25-16)28-13-9-19(10-14-28)26-21(17-5-3-2-4-6-17)18-7-11-24-12-8-18/h2-8,11-12,15,19,21,26H,9-10,13-14H2,1H3,(H2,23,25,27)/t21-/m0/s1.
What are the key properties of 4-methyl-6-[4-[[(S)-phenyl(pyridin-4-yl)methyl]amino]piperidin-1-yl]pyrimidin-2-amine?
4-methyl-6-[4-[[(S)-phenyl(pyridin-4-yl)methyl]amino]piperidin-1-yl]pyrimidin-2-amine has a molecular weight of 374.49 g/mol, XLogP of 3.11, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-6-[4-[[(S)-phenyl(pyridin-4-yl)methyl]amino]piperidin-1-yl]pyrimidin-2-amine is sourced from PubChem (CID 97187975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).