N-[[3-(imidazol-1-ylmethyl)phenyl]methyl]-2,6-di(propan-2-yl)pyrimidin-4-amine

C21H27N5 — CID 133409051

IUPACN-[[3-(imidazol-1-ylmethyl)phenyl]methyl]-2,6-di(propan-2-yl)pyrimidin-4-amine
SMILESCC(C)c1cc(NCc2cccc(Cn3ccnc3)c2)nc(C(C)C)n1
InChIInChI=1S/C21H27N5/c1-15(2)19-11-20(25-21(24-19)16(3)4)23-12-17-6-5-7-18(10-17)13-26-9-8-22-14-26/h5-11,14-16H,12-13H2,1-4H3,(H,23,24,25)
InChIKeyBHHSEXVJAFYCJW-UHFFFAOYSA-N
MW349.48 g/mol
LogP4.58
Rot. Bonds7

About N-[[3-(imidazol-1-ylmethyl)phenyl]methyl]-2,6-di(propan-2-yl)pyrimidin-4-amine

N-[[3-(imidazol-1-ylmethyl)phenyl]methyl]-2,6-di(propan-2-yl)pyrimidin-4-amine (PubChem CID 133409051) has the molecular formula C21H27N5 and a molecular weight of 349.48 g/mol. Its IUPAC name is N-[[3-(imidazol-1-ylmethyl)phenyl]methyl]-2,6-di(propan-2-yl)pyrimidin-4-amine.

Molecular Properties

Compound NameN-[[3-(imidazol-1-ylmethyl)phenyl]methyl]-2,6-di(propan-2-yl)pyrimidin-4-amine
PubChem CID133409051
Molecular FormulaC21H27N5
Molecular Weight349.48 g/mol
Exact Mass349.23
IUPAC NameN-[[3-(imidazol-1-ylmethyl)phenyl]methyl]-2,6-di(propan-2-yl)pyrimidin-4-amine
SMILESCC(C)c1cc(NCc2cccc(Cn3ccnc3)c2)nc(C(C)C)n1
InChIInChI=1S/C21H27N5/c1-15(2)19-11-20(25-21(24-19)16(3)4)23-12-17-6-5-7-18(10-17)13-26-9-8-22-14-26/h5-11,14-16H,12-13H2,1-4H3,(H,23,24,25)
InChIKeyBHHSEXVJAFYCJW-UHFFFAOYSA-N
XLogP4.58
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.48
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[3-(imidazol-1-ylmethyl)phenyl]methyl]-5-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 146083976
3-[[[2,6-di(propan-2-yl)pyrimidin-4-yl]amino]methyl]benzonitrile
CID 133409283
3-(imidazol-1-ylmethyl)-N-[(3-methylphenyl)methyl]aniline
CID 43737809
N-[[3-(imidazol-1-ylmethyl)phenyl]methyl]-3-propyl-1,2,4-thiadiazol-5-amine
CID 139004553
6-bromo-N-[[3-(imidazol-1-ylmethyl)phenyl]methyl]pyridine-2-carboxamide
CID 75395653
N-ethyl-2,6-di(propan-2-yl)pyrimidin-4-amine
CID 62191637
4-N-[(3-bromophenyl)methyl]-6-N-ethyl-2-propan-2-ylpyrimidine-4,6-diamine
CID 80961112
1-(3-fluoro-2-pyridinyl)-N-[[3-(imidazol-1-ylmethyl)phenyl]methyl]ethanamine
CID 166397375
6-hydrazinyl-N-(2-imidazol-1-ylethyl)-2-propan-2-ylpyrimidin-4-amine
CID 80964166
3-cyclopropyl-N-[[3-(imidazol-1-ylmethyl)phenyl]methyl]-1,2,4-thiadiazol-5-amine
CID 133335553
N-[[3-(imidazol-1-ylmethyl)phenyl]methyl]-2,5-dimethylpyrazole-3-carboxamide
CID 87033969
1-[[3-(imidazol-1-ylmethyl)phenyl]methyl]-3-[(1-methylpyrazol-4-yl)methyl]urea
CID 86831480

Frequently Asked Questions

What is the IUPAC name of N-[[3-(imidazol-1-ylmethyl)phenyl]methyl]-2,6-di(propan-2-yl)pyrimidin-4-amine?
The IUPAC name of N-[[3-(imidazol-1-ylmethyl)phenyl]methyl]-2,6-di(propan-2-yl)pyrimidin-4-amine (CID 133409051) is N-[[3-(imidazol-1-ylmethyl)phenyl]methyl]-2,6-di(propan-2-yl)pyrimidin-4-amine.
What is the SMILES notation for N-[[3-(imidazol-1-ylmethyl)phenyl]methyl]-2,6-di(propan-2-yl)pyrimidin-4-amine?
The canonical SMILES for N-[[3-(imidazol-1-ylmethyl)phenyl]methyl]-2,6-di(propan-2-yl)pyrimidin-4-amine is CC(C)c1cc(NCc2cccc(Cn3ccnc3)c2)nc(C(C)C)n1.
What is the InChIKey of N-[[3-(imidazol-1-ylmethyl)phenyl]methyl]-2,6-di(propan-2-yl)pyrimidin-4-amine?
The InChIKey is BHHSEXVJAFYCJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N5/c1-15(2)19-11-20(25-21(24-19)16(3)4)23-12-17-6-5-7-18(10-17)13-26-9-8-22-14-26/h5-11,14-16H,12-13H2,1-4H3,(H,23,24,25).
What are the key properties of N-[[3-(imidazol-1-ylmethyl)phenyl]methyl]-2,6-di(propan-2-yl)pyrimidin-4-amine?
N-[[3-(imidazol-1-ylmethyl)phenyl]methyl]-2,6-di(propan-2-yl)pyrimidin-4-amine has a molecular weight of 349.48 g/mol, XLogP of 4.58, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(imidazol-1-ylmethyl)phenyl]methyl]-2,6-di(propan-2-yl)pyrimidin-4-amine is sourced from PubChem (CID 133409051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).