2-tert-butyl-4-(methoxymethyl)-6-[3-(5-phenyl-1H-imidazol-2-yl)piperidin-1-yl]pyrimidine

C24H31N5O — CID 133401848

IUPAC2-tert-butyl-4-(methoxymethyl)-6-[3-(5-phenyl-1H-imidazol-2-yl)piperidin-1-yl]pyrimidine
SMILESCOCc1cc(N2CCCC(c3ncc(-c4ccccc4)[nH]3)C2)nc(C(C)(C)C)n1
InChIInChI=1S/C24H31N5O/c1-24(2,3)23-26-19(16-30-4)13-21(28-23)29-12-8-11-18(15-29)22-25-14-20(27-22)17-9-6-5-7-10-17/h5-7,9-10,13-14,18H,8,11-12,15-16H2,1-4H3,(H,25,27)
InChIKeyYGQBZBDAXNVYEJ-UHFFFAOYSA-N
MW405.55 g/mol
LogP4.69
Rot. Bonds5

About 2-tert-butyl-4-(methoxymethyl)-6-[3-(5-phenyl-1H-imidazol-2-yl)piperidin-1-yl]pyrimidine

2-tert-butyl-4-(methoxymethyl)-6-[3-(5-phenyl-1H-imidazol-2-yl)piperidin-1-yl]pyrimidine (PubChem CID 133401848) has the molecular formula C24H31N5O and a molecular weight of 405.55 g/mol. Its IUPAC name is 2-tert-butyl-4-(methoxymethyl)-6-[3-(5-phenyl-1H-imidazol-2-yl)piperidin-1-yl]pyrimidine.

Molecular Properties

Compound Name2-tert-butyl-4-(methoxymethyl)-6-[3-(5-phenyl-1H-imidazol-2-yl)piperidin-1-yl]pyrimidine
PubChem CID133401848
Molecular FormulaC24H31N5O
Molecular Weight405.55 g/mol
Exact Mass405.25
IUPAC Name2-tert-butyl-4-(methoxymethyl)-6-[3-(5-phenyl-1H-imidazol-2-yl)piperidin-1-yl]pyrimidine
SMILESCOCc1cc(N2CCCC(c3ncc(-c4ccccc4)[nH]3)C2)nc(C(C)(C)C)n1
InChIInChI=1S/C24H31N5O/c1-24(2,3)23-26-19(16-30-4)13-21(28-23)29-12-8-11-18(15-29)22-25-14-20(27-22)17-9-6-5-7-10-17/h5-7,9-10,13-14,18H,8,11-12,15-16H2,1-4H3,(H,25,27)
InChIKeyYGQBZBDAXNVYEJ-UHFFFAOYSA-N
XLogP4.69
TPSA66.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.55
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[1-[2-tert-butyl-6-(methoxymethyl)pyrimidin-4-yl]piperidin-3-yl]azepane
CID 133401629
2-tert-butyl-4-[3-(ethoxymethyl)piperidin-1-yl]-6-(methoxymethyl)pyrimidine
CID 75431426
N,N-dimethyl-6-[3-(5-phenyl-1H-imidazol-2-yl)piperidin-1-yl]pyrimidin-4-amine
CID 154782534
2-[3-(5-phenyl-1H-imidazol-2-yl)piperidin-1-yl]quinoline-6-carbonitrile
CID 133430717
2-methyl-5-[3-(5-phenyl-1H-imidazol-2-yl)piperidin-1-yl]-1,3,4-thiadiazole
CID 133430723
5-[3-(5-phenyl-1H-imidazol-2-yl)piperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole
CID 133430739
4-[3-[3-(5-phenyl-1H-imidazol-2-yl)piperidin-1-yl]quinoxalin-2-yl]morpholine
CID 133430774
1-[2-tert-butyl-6-(methoxymethyl)pyrimidin-4-yl]-N-(5-chloro-2-pyridinyl)piperidine-3-carboxamide
CID 133400612
3,5-difluoro-4-[3-(5-phenyl-1H-imidazol-2-yl)piperidin-1-yl]benzonitrile
CID 133430705
3-[2-tert-butyl-6-(methoxymethyl)pyrimidin-4-yl]-9-methyl-3,9-diazabicyclo[4.2.1]nonane
CID 133402713
2-tert-butyl-4-(methoxymethyl)-6-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]pyrimidine
CID 133400462
1-(3-methoxy-4-nitrophenyl)-3-(5-phenyl-1H-imidazol-2-yl)piperidine
CID 133430754

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-4-(methoxymethyl)-6-[3-(5-phenyl-1H-imidazol-2-yl)piperidin-1-yl]pyrimidine?
The IUPAC name of 2-tert-butyl-4-(methoxymethyl)-6-[3-(5-phenyl-1H-imidazol-2-yl)piperidin-1-yl]pyrimidine (CID 133401848) is 2-tert-butyl-4-(methoxymethyl)-6-[3-(5-phenyl-1H-imidazol-2-yl)piperidin-1-yl]pyrimidine.
What is the SMILES notation for 2-tert-butyl-4-(methoxymethyl)-6-[3-(5-phenyl-1H-imidazol-2-yl)piperidin-1-yl]pyrimidine?
The canonical SMILES for 2-tert-butyl-4-(methoxymethyl)-6-[3-(5-phenyl-1H-imidazol-2-yl)piperidin-1-yl]pyrimidine is COCc1cc(N2CCCC(c3ncc(-c4ccccc4)[nH]3)C2)nc(C(C)(C)C)n1.
What is the InChIKey of 2-tert-butyl-4-(methoxymethyl)-6-[3-(5-phenyl-1H-imidazol-2-yl)piperidin-1-yl]pyrimidine?
The InChIKey is YGQBZBDAXNVYEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N5O/c1-24(2,3)23-26-19(16-30-4)13-21(28-23)29-12-8-11-18(15-29)22-25-14-20(27-22)17-9-6-5-7-10-17/h5-7,9-10,13-14,18H,8,11-12,15-16H2,1-4H3,(H,25,27).
What are the key properties of 2-tert-butyl-4-(methoxymethyl)-6-[3-(5-phenyl-1H-imidazol-2-yl)piperidin-1-yl]pyrimidine?
2-tert-butyl-4-(methoxymethyl)-6-[3-(5-phenyl-1H-imidazol-2-yl)piperidin-1-yl]pyrimidine has a molecular weight of 405.55 g/mol, XLogP of 4.69, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-4-(methoxymethyl)-6-[3-(5-phenyl-1H-imidazol-2-yl)piperidin-1-yl]pyrimidine is sourced from PubChem (CID 133401848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).