4-methyl-6-[4-[[1-(phenoxymethyl)cyclopropyl]methylamino]piperidin-1-yl]pyrimidin-2-amine

C21H29N5O — CID 72845869

IUPAC4-methyl-6-[4-[[1-(phenoxymethyl)cyclopropyl]methylamino]piperidin-1-yl]pyrimidin-2-amine
SMILESCc1cc(N2CCC(NCC3(COc4ccccc4)CC3)CC2)nc(N)n1
InChIInChI=1S/C21H29N5O/c1-16-13-19(25-20(22)24-16)26-11-7-17(8-12-26)23-14-21(9-10-21)15-27-18-5-3-2-4-6-18/h2-6,13,17,23H,7-12,14-15H2,1H3,(H2,22,24,25)
InChIKeyNRXNQUIKVBKWSD-UHFFFAOYSA-N
MW367.50 g/mol
LogP2.78
Rot. Bonds7

About 4-methyl-6-[4-[[1-(phenoxymethyl)cyclopropyl]methylamino]piperidin-1-yl]pyrimidin-2-amine

4-methyl-6-[4-[[1-(phenoxymethyl)cyclopropyl]methylamino]piperidin-1-yl]pyrimidin-2-amine (PubChem CID 72845869) has the molecular formula C21H29N5O and a molecular weight of 367.50 g/mol. Its IUPAC name is 4-methyl-6-[4-[[1-(phenoxymethyl)cyclopropyl]methylamino]piperidin-1-yl]pyrimidin-2-amine.

Molecular Properties

Compound Name4-methyl-6-[4-[[1-(phenoxymethyl)cyclopropyl]methylamino]piperidin-1-yl]pyrimidin-2-amine
PubChem CID72845869
Molecular FormulaC21H29N5O
Molecular Weight367.50 g/mol
Exact Mass367.24
IUPAC Name4-methyl-6-[4-[[1-(phenoxymethyl)cyclopropyl]methylamino]piperidin-1-yl]pyrimidin-2-amine
SMILESCc1cc(N2CCC(NCC3(COc4ccccc4)CC3)CC2)nc(N)n1
InChIInChI=1S/C21H29N5O/c1-16-13-19(25-20(22)24-16)26-11-7-17(8-12-26)23-14-21(9-10-21)15-27-18-5-3-2-4-6-18/h2-6,13,17,23H,7-12,14-15H2,1H3,(H2,22,24,25)
InChIKeyNRXNQUIKVBKWSD-UHFFFAOYSA-N
XLogP2.78
TPSA76.30 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.50
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-methyl-6-[4-[[1-(phenoxymethyl)cyclopropyl]methylamino]piperidin-1-yl]pyrimidin-2-amine with MolForge

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Related Compounds

4-[4-[(3-methoxyphenyl)methylamino]piperidin-1-yl]-6-methylpyrimidin-2-amine
CID 169075730
4-methyl-6-[4-[(3-piperidin-1-ylphenyl)methylamino]piperidin-1-yl]pyrimidin-2-amine
CID 169075715
4-methyl-6-[4-[[(S)-phenyl(pyridin-4-yl)methyl]amino]piperidin-1-yl]pyrimidin-2-amine
CID 97187975
4-[4-[3-(3,4-dihydro-2H-quinolin-1-yl)propylamino]piperidin-1-yl]-6-methylpyrimidin-2-amine
CID 72916033
1-(2-amino-6-methylpyrimidin-4-yl)piperidin-4-ol
CID 112724371
4-[4-[[(1R,2R)-2-[(4-fluorophenyl)methyl]cyclopentyl]amino]piperidin-1-yl]-6-methylpyrimidin-2-amine
CID 133115702
4-methyl-6-(4-propylpiperidin-1-yl)pyrimidin-2-amine
CID 79478769
4-methyl-6-[4-[4-[(2S)-oxolan-2-yl]butylamino]piperidin-1-yl]pyrimidin-2-amine
CID 97206452
[1-(2,6-diaminopyrimidin-4-yl)-4-(2-phenoxyethyl)piperidin-4-yl]methanol
CID 56760178
3-amino-N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-3-phenylpropanamide;dihydrochloride
CID 119954156
2-(5-amino-3-methylpyrazol-1-yl)-N-[[1-(phenoxymethyl)cyclopropyl]methyl]acetamide
CID 131942164
1-[[[1-(6-methyl-2-propylpyrimidin-4-yl)piperidin-4-yl]amino]methyl]cyclohexan-1-ol
CID 72857573

Frequently Asked Questions

What is the IUPAC name of 4-methyl-6-[4-[[1-(phenoxymethyl)cyclopropyl]methylamino]piperidin-1-yl]pyrimidin-2-amine?
The IUPAC name of 4-methyl-6-[4-[[1-(phenoxymethyl)cyclopropyl]methylamino]piperidin-1-yl]pyrimidin-2-amine (CID 72845869) is 4-methyl-6-[4-[[1-(phenoxymethyl)cyclopropyl]methylamino]piperidin-1-yl]pyrimidin-2-amine.
What is the SMILES notation for 4-methyl-6-[4-[[1-(phenoxymethyl)cyclopropyl]methylamino]piperidin-1-yl]pyrimidin-2-amine?
The canonical SMILES for 4-methyl-6-[4-[[1-(phenoxymethyl)cyclopropyl]methylamino]piperidin-1-yl]pyrimidin-2-amine is Cc1cc(N2CCC(NCC3(COc4ccccc4)CC3)CC2)nc(N)n1.
What is the InChIKey of 4-methyl-6-[4-[[1-(phenoxymethyl)cyclopropyl]methylamino]piperidin-1-yl]pyrimidin-2-amine?
The InChIKey is NRXNQUIKVBKWSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N5O/c1-16-13-19(25-20(22)24-16)26-11-7-17(8-12-26)23-14-21(9-10-21)15-27-18-5-3-2-4-6-18/h2-6,13,17,23H,7-12,14-15H2,1H3,(H2,22,24,25).
What are the key properties of 4-methyl-6-[4-[[1-(phenoxymethyl)cyclopropyl]methylamino]piperidin-1-yl]pyrimidin-2-amine?
4-methyl-6-[4-[[1-(phenoxymethyl)cyclopropyl]methylamino]piperidin-1-yl]pyrimidin-2-amine has a molecular weight of 367.50 g/mol, XLogP of 2.78, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-6-[4-[[1-(phenoxymethyl)cyclopropyl]methylamino]piperidin-1-yl]pyrimidin-2-amine is sourced from PubChem (CID 72845869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).