N,N,2,2-tetramethyl-3-[2-(2-morpholin-4-ylpyrimidin-5-yl)imidazol-1-yl]propan-1-amine

C18H28N6O — CID 56743039

IUPACN,N,2,2-tetramethyl-3-[2-(2-morpholin-4-ylpyrimidin-5-yl)imidazol-1-yl]propan-1-amine
SMILESCN(C)CC(C)(C)Cn1ccnc1-c1cnc(N2CCOCC2)nc1
InChIInChI=1S/C18H28N6O/c1-18(2,13-22(3)4)14-24-6-5-19-16(24)15-11-20-17(21-12-15)23-7-9-25-10-8-23/h5-6,11-12H,7-10,13-14H2,1-4H3
InChIKeyPPURRARAMWKQAN-UHFFFAOYSA-N
MW344.46 g/mol
LogP1.76
Rot. Bonds6

About N,N,2,2-tetramethyl-3-[2-(2-morpholin-4-ylpyrimidin-5-yl)imidazol-1-yl]propan-1-amine

N,N,2,2-tetramethyl-3-[2-(2-morpholin-4-ylpyrimidin-5-yl)imidazol-1-yl]propan-1-amine (PubChem CID 56743039) has the molecular formula C18H28N6O and a molecular weight of 344.46 g/mol. Its IUPAC name is N,N,2,2-tetramethyl-3-[2-(2-morpholin-4-ylpyrimidin-5-yl)imidazol-1-yl]propan-1-amine.

Molecular Properties

Compound NameN,N,2,2-tetramethyl-3-[2-(2-morpholin-4-ylpyrimidin-5-yl)imidazol-1-yl]propan-1-amine
PubChem CID56743039
Molecular FormulaC18H28N6O
Molecular Weight344.46 g/mol
Exact Mass344.23
IUPAC NameN,N,2,2-tetramethyl-3-[2-(2-morpholin-4-ylpyrimidin-5-yl)imidazol-1-yl]propan-1-amine
SMILESCN(C)CC(C)(C)Cn1ccnc1-c1cnc(N2CCOCC2)nc1
InChIInChI=1S/C18H28N6O/c1-18(2,13-22(3)4)14-24-6-5-19-16(24)15-11-20-17(21-12-15)23-7-9-25-10-8-23/h5-6,11-12H,7-10,13-14H2,1-4H3
InChIKeyPPURRARAMWKQAN-UHFFFAOYSA-N
XLogP1.76
TPSA59.31 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.46
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

5-[4-(2-Methylimidazol-1-yl)-6-morpholin-4-yl-1,3,5-triazin-2-yl]pyrimidin-2-amine
CID 44158465
Morpholine, 4-(2-(1H-imidazol-1-yl)-4-pyrimidinyl)-, monohydrochloride
CID 3071747
Morpholine, 4-(4-(1H-imidazol-1-yl)-2-pyrimidinyl)-, dihydrochloride
CID 3071753
4-[(1-Methylimidazol-2-yl)methyl]-2-[(4-methylpyrazol-1-yl)methyl]morpholine
CID 53565596
2-methoxy-5-[1-(3-methoxypropyl)-1H-imidazol-2-yl]pyrimidine
CID 56749148
(2-{2-[2-(methoxymethyl)pyrimidin-5-yl]-1H-imidazol-1-yl}ethyl)dimethylamine
CID 56867185
2-[2-(2-methoxypyrimidin-5-yl)-1H-imidazol-1-yl]-N,N-dimethylethanamine
CID 56869757
N,N-dimethyl-5-({2-[2-(2-methyl-1H-imidazol-1-yl)ethyl]-1-piperidinyl}methyl)-2-pyrimidinamine
CID 70717289
2-(methoxymethyl)-5-{1-[2-(4H-1,2,4-triazol-4-yl)ethyl]-1H-imidazol-2-yl}pyrimidine
CID 70749056
5-[[4-(2-Methoxyethyl)piperazin-1-yl]methyl]-2-methylpyrimidine
CID 73440651
2-Ethyl-5-[[4-(2-methoxyethyl)piperazin-1-yl]methyl]pyrimidine
CID 95857239
5-[[4-(2-Methoxyethyl)piperazin-1-yl]methyl]-2-propan-2-ylpyrimidine
CID 95857248

Frequently Asked Questions

What is the IUPAC name of N,N,2,2-tetramethyl-3-[2-(2-morpholin-4-ylpyrimidin-5-yl)imidazol-1-yl]propan-1-amine?
The IUPAC name of N,N,2,2-tetramethyl-3-[2-(2-morpholin-4-ylpyrimidin-5-yl)imidazol-1-yl]propan-1-amine (CID 56743039) is N,N,2,2-tetramethyl-3-[2-(2-morpholin-4-ylpyrimidin-5-yl)imidazol-1-yl]propan-1-amine.
What is the SMILES notation for N,N,2,2-tetramethyl-3-[2-(2-morpholin-4-ylpyrimidin-5-yl)imidazol-1-yl]propan-1-amine?
The canonical SMILES for N,N,2,2-tetramethyl-3-[2-(2-morpholin-4-ylpyrimidin-5-yl)imidazol-1-yl]propan-1-amine is CN(C)CC(C)(C)Cn1ccnc1-c1cnc(N2CCOCC2)nc1.
What is the InChIKey of N,N,2,2-tetramethyl-3-[2-(2-morpholin-4-ylpyrimidin-5-yl)imidazol-1-yl]propan-1-amine?
The InChIKey is PPURRARAMWKQAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N6O/c1-18(2,13-22(3)4)14-24-6-5-19-16(24)15-11-20-17(21-12-15)23-7-9-25-10-8-23/h5-6,11-12H,7-10,13-14H2,1-4H3.
What are the key properties of N,N,2,2-tetramethyl-3-[2-(2-morpholin-4-ylpyrimidin-5-yl)imidazol-1-yl]propan-1-amine?
N,N,2,2-tetramethyl-3-[2-(2-morpholin-4-ylpyrimidin-5-yl)imidazol-1-yl]propan-1-amine has a molecular weight of 344.46 g/mol, XLogP of 1.76, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,2,2-tetramethyl-3-[2-(2-morpholin-4-ylpyrimidin-5-yl)imidazol-1-yl]propan-1-amine is sourced from PubChem (CID 56743039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).