1-[2-[(2S)-4-[(2-butyl-1H-imidazol-5-yl)methyl]morpholin-2-yl]pyrimidin-4-yl]-N,N-dimethylmethanamine

C19H30N6O — CID 124947645

IUPAC1-[2-[(2S)-4-[(2-butyl-1H-imidazol-5-yl)methyl]morpholin-2-yl]pyrimidin-4-yl]-N,N-dimethylmethanamine
SMILESCCCCc1ncc(CN2CCO[C@H](c3nccc(CN(C)C)n3)C2)[nH]1
InChIInChI=1S/C19H30N6O/c1-4-5-6-18-21-11-16(22-18)13-25-9-10-26-17(14-25)19-20-8-7-15(23-19)12-24(2)3/h7-8,11,17H,4-6,9-10,12-14H2,1-3H3,(H,21,22)/t17-/m0/s1
InChIKeyCHAYVBLPAWHEPI-KRWDZBQOSA-N
MW358.49 g/mol
LogP2.18
Rot. Bonds8

About 1-[2-[(2S)-4-[(2-butyl-1H-imidazol-5-yl)methyl]morpholin-2-yl]pyrimidin-4-yl]-N,N-dimethylmethanamine

1-[2-[(2S)-4-[(2-butyl-1H-imidazol-5-yl)methyl]morpholin-2-yl]pyrimidin-4-yl]-N,N-dimethylmethanamine (PubChem CID 124947645) has the molecular formula C19H30N6O and a molecular weight of 358.49 g/mol. Its IUPAC name is 1-[2-[(2S)-4-[(2-butyl-1H-imidazol-5-yl)methyl]morpholin-2-yl]pyrimidin-4-yl]-N,N-dimethylmethanamine.

Molecular Properties

Compound Name1-[2-[(2S)-4-[(2-butyl-1H-imidazol-5-yl)methyl]morpholin-2-yl]pyrimidin-4-yl]-N,N-dimethylmethanamine
PubChem CID124947645
Molecular FormulaC19H30N6O
Molecular Weight358.49 g/mol
Exact Mass358.25
IUPAC Name1-[2-[(2S)-4-[(2-butyl-1H-imidazol-5-yl)methyl]morpholin-2-yl]pyrimidin-4-yl]-N,N-dimethylmethanamine
SMILESCCCCc1ncc(CN2CCO[C@H](c3nccc(CN(C)C)n3)C2)[nH]1
InChIInChI=1S/C19H30N6O/c1-4-5-6-18-21-11-16(22-18)13-25-9-10-26-17(14-25)19-20-8-7-15(23-19)12-24(2)3/h7-8,11,17H,4-6,9-10,12-14H2,1-3H3,(H,21,22)/t17-/m0/s1
InChIKeyCHAYVBLPAWHEPI-KRWDZBQOSA-N
XLogP2.18
TPSA70.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.49
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[(2S)-4-[(2-butyl-1H-imidazol-5-yl)methyl]morpholin-2-yl]pyrimidin-4-yl]-N,N-dimethylmethanamine?
The IUPAC name of 1-[2-[(2S)-4-[(2-butyl-1H-imidazol-5-yl)methyl]morpholin-2-yl]pyrimidin-4-yl]-N,N-dimethylmethanamine (CID 124947645) is 1-[2-[(2S)-4-[(2-butyl-1H-imidazol-5-yl)methyl]morpholin-2-yl]pyrimidin-4-yl]-N,N-dimethylmethanamine.
What is the SMILES notation for 1-[2-[(2S)-4-[(2-butyl-1H-imidazol-5-yl)methyl]morpholin-2-yl]pyrimidin-4-yl]-N,N-dimethylmethanamine?
The canonical SMILES for 1-[2-[(2S)-4-[(2-butyl-1H-imidazol-5-yl)methyl]morpholin-2-yl]pyrimidin-4-yl]-N,N-dimethylmethanamine is CCCCc1ncc(CN2CCO[C@H](c3nccc(CN(C)C)n3)C2)[nH]1.
What is the InChIKey of 1-[2-[(2S)-4-[(2-butyl-1H-imidazol-5-yl)methyl]morpholin-2-yl]pyrimidin-4-yl]-N,N-dimethylmethanamine?
The InChIKey is CHAYVBLPAWHEPI-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H30N6O/c1-4-5-6-18-21-11-16(22-18)13-25-9-10-26-17(14-25)19-20-8-7-15(23-19)12-24(2)3/h7-8,11,17H,4-6,9-10,12-14H2,1-3H3,(H,21,22)/t17-/m0/s1.
What are the key properties of 1-[2-[(2S)-4-[(2-butyl-1H-imidazol-5-yl)methyl]morpholin-2-yl]pyrimidin-4-yl]-N,N-dimethylmethanamine?
1-[2-[(2S)-4-[(2-butyl-1H-imidazol-5-yl)methyl]morpholin-2-yl]pyrimidin-4-yl]-N,N-dimethylmethanamine has a molecular weight of 358.49 g/mol, XLogP of 2.18, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(2S)-4-[(2-butyl-1H-imidazol-5-yl)methyl]morpholin-2-yl]pyrimidin-4-yl]-N,N-dimethylmethanamine is sourced from PubChem (CID 124947645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).