N-(2-propan-2-yloxan-3-yl)-6-[4-(triazol-1-ylmethyl)piperidin-1-yl]pyrimidin-4-amine

C20H31N7O — CID 128964775

IUPACN-(2-propan-2-yloxan-3-yl)-6-[4-(triazol-1-ylmethyl)piperidin-1-yl]pyrimidin-4-amine
SMILESCC(C)C1OCCCC1Nc1cc(N2CCC(Cn3ccnn3)CC2)ncn1
InChIInChI=1S/C20H31N7O/c1-15(2)20-17(4-3-11-28-20)24-18-12-19(22-14-21-18)26-8-5-16(6-9-26)13-27-10-7-23-25-27/h7,10,12,14-17,20H,3-6,8-9,11,13H2,1-2H3,(H,21,22,24)
InChIKeyNZCPMOLXIXNEHX-UHFFFAOYSA-N
MW385.52 g/mol
LogP2.60
Rot. Bonds6

About N-(2-propan-2-yloxan-3-yl)-6-[4-(triazol-1-ylmethyl)piperidin-1-yl]pyrimidin-4-amine

N-(2-propan-2-yloxan-3-yl)-6-[4-(triazol-1-ylmethyl)piperidin-1-yl]pyrimidin-4-amine (PubChem CID 128964775) has the molecular formula C20H31N7O and a molecular weight of 385.52 g/mol. Its IUPAC name is N-(2-propan-2-yloxan-3-yl)-6-[4-(triazol-1-ylmethyl)piperidin-1-yl]pyrimidin-4-amine.

Molecular Properties

Compound NameN-(2-propan-2-yloxan-3-yl)-6-[4-(triazol-1-ylmethyl)piperidin-1-yl]pyrimidin-4-amine
PubChem CID128964775
Molecular FormulaC20H31N7O
Molecular Weight385.52 g/mol
Exact Mass385.26
IUPAC NameN-(2-propan-2-yloxan-3-yl)-6-[4-(triazol-1-ylmethyl)piperidin-1-yl]pyrimidin-4-amine
SMILESCC(C)C1OCCCC1Nc1cc(N2CCC(Cn3ccnn3)CC2)ncn1
InChIInChI=1S/C20H31N7O/c1-15(2)20-17(4-3-11-28-20)24-18-12-19(22-14-21-18)26-8-5-16(6-9-26)13-27-10-7-23-25-27/h7,10,12,14-17,20H,3-6,8-9,11,13H2,1-2H3,(H,21,22,24)
InChIKeyNZCPMOLXIXNEHX-UHFFFAOYSA-N
XLogP2.60
TPSA80.99 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.52
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-(2-propan-2-yloxan-3-yl)-6-[4-(triazol-1-ylmethyl)piperidin-1-yl]pyrimidin-4-amine with MolForge

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Related Compounds

6-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-N-[(2S,3S)-2-propan-2-yloxan-3-yl]pyrimidin-4-amine
CID 129474578
1-[6-[[(2S,3S)-2-propan-2-yloxan-3-yl]amino]pyrimidin-4-yl]-4-(trifluoromethyl)piperidin-4-ol
CID 129334770
6-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-N-[(2S,3R)-2-propan-2-yloxan-3-yl]pyrimidin-4-amine
CID 129331963
N-ethyl-1-[6-[(2-propan-2-yloxan-3-yl)amino]pyrimidin-4-yl]pyrrolidine-3-sulfonamide
CID 128992804
N-[(2S,3R)-2-propan-2-yloxan-3-yl]-6-[(2R)-2-(1,3-thiazol-2-yl)morpholin-4-yl]pyrimidin-4-amine
CID 129474501
2-methyl-6-[6-[[(2S,3S)-2-propan-2-yloxan-3-yl]amino]pyrimidin-4-yl]-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-3-one
CID 129475129
6-N-[(2-methylpyrazol-3-yl)methyl]-4-N-[(2S,3S)-2-propan-2-yloxan-3-yl]pyrimidine-4,6-diamine
CID 129474157
6-N-[(2-methylpyrazol-3-yl)methyl]-4-N-[(2R,3R)-2-propan-2-yloxan-3-yl]pyrimidine-4,6-diamine
CID 129474155
4-N-methyl-4-N-[(1-methylimidazol-2-yl)methyl]-6-N-[(2S,3S)-2-propan-2-yloxan-3-yl]pyrimidine-4,6-diamine
CID 129475071
4-N-[(2R)-4-methylsulfonylbutan-2-yl]-6-N-[(2R,3S)-2-propan-2-yloxan-3-yl]pyrimidine-4,6-diamine
CID 129344311
6-N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-4-N-[(2S,3S)-2-propan-2-yloxan-3-yl]pyrimidine-4,6-diamine
CID 129339873
N-[3-[[6-[(2-propan-2-yloxan-3-yl)amino]pyrimidin-4-yl]amino]propyl]methanesulfonamide
CID 129007971

Frequently Asked Questions

What is the IUPAC name of N-(2-propan-2-yloxan-3-yl)-6-[4-(triazol-1-ylmethyl)piperidin-1-yl]pyrimidin-4-amine?
The IUPAC name of N-(2-propan-2-yloxan-3-yl)-6-[4-(triazol-1-ylmethyl)piperidin-1-yl]pyrimidin-4-amine (CID 128964775) is N-(2-propan-2-yloxan-3-yl)-6-[4-(triazol-1-ylmethyl)piperidin-1-yl]pyrimidin-4-amine.
What is the SMILES notation for N-(2-propan-2-yloxan-3-yl)-6-[4-(triazol-1-ylmethyl)piperidin-1-yl]pyrimidin-4-amine?
The canonical SMILES for N-(2-propan-2-yloxan-3-yl)-6-[4-(triazol-1-ylmethyl)piperidin-1-yl]pyrimidin-4-amine is CC(C)C1OCCCC1Nc1cc(N2CCC(Cn3ccnn3)CC2)ncn1.
What is the InChIKey of N-(2-propan-2-yloxan-3-yl)-6-[4-(triazol-1-ylmethyl)piperidin-1-yl]pyrimidin-4-amine?
The InChIKey is NZCPMOLXIXNEHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N7O/c1-15(2)20-17(4-3-11-28-20)24-18-12-19(22-14-21-18)26-8-5-16(6-9-26)13-27-10-7-23-25-27/h7,10,12,14-17,20H,3-6,8-9,11,13H2,1-2H3,(H,21,22,24).
What are the key properties of N-(2-propan-2-yloxan-3-yl)-6-[4-(triazol-1-ylmethyl)piperidin-1-yl]pyrimidin-4-amine?
N-(2-propan-2-yloxan-3-yl)-6-[4-(triazol-1-ylmethyl)piperidin-1-yl]pyrimidin-4-amine has a molecular weight of 385.52 g/mol, XLogP of 2.60, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-propan-2-yloxan-3-yl)-6-[4-(triazol-1-ylmethyl)piperidin-1-yl]pyrimidin-4-amine is sourced from PubChem (CID 128964775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).